[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone

C18H17N3O3 — CID 119035596

IUPAC[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1noc(C2(O)CCN(C(=O)c3ccc4ccccc4c3)C2)n1
InChIInChI=1S/C18H17N3O3/c1-12-19-17(24-20-12)18(23)8-9-21(11-18)16(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,23H,8-9,11H2,1H3
InChIKeyDQDNCLLUIOBZBC-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.26
Rot. Bonds2

About [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone

[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 119035596) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
PubChem CID119035596
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1noc(C2(O)CCN(C(=O)c3ccc4ccccc4c3)C2)n1
InChIInChI=1S/C18H17N3O3/c1-12-19-17(24-20-12)18(23)8-9-21(11-18)16(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,23H,8-9,11H2,1H3
InChIKeyDQDNCLLUIOBZBC-UHFFFAOYSA-N
XLogP2.26
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 167862030
(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide
CID 100644680
(3S)-N-(2,3-dimethylphenyl)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 100640883
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 119035597
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
CID 22399209
[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 124889969
naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 90510632
[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 5047532
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 103357503
[(3aS,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1-benzofuran-2-yl)methanone
CID 124806752
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 129327157
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
CID 22399174

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone (CID 119035596) is [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone is Cc1noc(C2(O)CCN(C(=O)c3ccc4ccccc4c3)C2)n1.
What is the InChIKey of [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is DQDNCLLUIOBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-19-17(24-20-12)18(23)8-9-21(11-18)16(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,23H,8-9,11H2,1H3.
What are the key properties of [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone?
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 323.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 119035596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).