(2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

C24H30N4O4 — CID 142572607

IUPAC(2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
SMILESCc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=N[C@]3(CCCc4ccccc43)ON2)C(C)C)on1
InChIInChI=1S/C24H30N4O4/c1-14(2)21(20-11-15(3)26-31-20)23(30)28-13-17(29)12-19(28)22-25-24(32-27-22)10-6-8-16-7-4-5-9-18(16)24/h4-5,7,9,11,14,17,19,21,29H,6,8,10,12-13H2,1-3H3,(H,25,27)/t17-,19+,21-,24-/m1/s1
InChIKeyDYVCCEQFPYNQOG-RMIRKMSDSA-N
MW438.53 g/mol
LogP2.81
Rot. Bonds4

About (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

(2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (PubChem CID 142572607) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
PubChem CID142572607
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
SMILESCc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=N[C@]3(CCCc4ccccc43)ON2)C(C)C)on1
InChIInChI=1S/C24H30N4O4/c1-14(2)21(20-11-15(3)26-31-20)23(30)28-13-17(29)12-19(28)22-25-24(32-27-22)10-6-8-16-7-4-5-9-18(16)24/h4-5,7,9,11,14,17,19,21,29H,6,8,10,12-13H2,1-3H3,(H,25,27)/t17-,19+,21-,24-/m1/s1
InChIKeyDYVCCEQFPYNQOG-RMIRKMSDSA-N
XLogP2.81
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one with MolForge

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Related Compounds

1-[(4R)-4-hydroxy-2-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-ylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 166778635
1-[(2S,4R)-4-hydroxy-2-(1-oxa-2,4-diazaspiro[4.4]non-3-en-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 166771169
1-[(2S,4R)-2-(5,6-dihydro-2H-1,2,4-benzoxadiazocin-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 166968408
1-[(2S,4R)-2-[(5R)-5-ethyl-5-[4-(2-fluorophenyl)phenyl]-2H-1,2,4-oxadiazol-3-yl]-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 166779149
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572338
(2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 142572816
(2R)-1-[(2S,4R)-4-hydroxy-2-[(5S)-5-methyl-5-[4-(3-methylthiophen-2-yl)phenyl]-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[(5S)-5-methyl-5-phenyl-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-phenyl-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;1-(4-hydroxy-2-spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]-3'-ylpyrrolidin-1-yl)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 157442826
2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572787
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572853
(2R)-1-[(2S,4R)-4-hydroxy-2-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 160582256
6-[4-[(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
CID 142572498
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572484

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The IUPAC name of (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (CID 142572607) is (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.
What is the SMILES notation for (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The canonical SMILES for (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=N[C@]3(CCCc4ccccc43)ON2)C(C)C)on1.
What is the InChIKey of (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The InChIKey is DYVCCEQFPYNQOG-RMIRKMSDSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-14(2)21(20-11-15(3)26-31-20)23(30)28-13-17(29)12-19(28)22-25-24(32-27-22)10-6-8-16-7-4-5-9-18(16)24/h4-5,7,9,11,14,17,19,21,29H,6,8,10,12-13H2,1-3H3,(H,25,27)/t17-,19+,21-,24-/m1/s1.
What are the key properties of (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
(2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one has a molecular weight of 438.53 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is sourced from PubChem (CID 142572607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).