N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide

C15H24N4O5 — CID 110139606

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@]1(O)CN(C(=O)CCc2nnc(C(C)C)o2)C[C@H]1O
InChIInChI=1S/C15H24N4O5/c1-9(2)14-18-17-12(24-14)4-5-13(22)19-6-11(21)15(23,8-19)7-16-10(3)20/h9,11,21,23H,4-8H2,1-3H3,(H,16,20)/t11-,15+/m1/s1
InChIKeyCJHXHNCHNIBOBD-ABAIWWIYSA-N
MW340.38 g/mol
LogP-0.80
Rot. Bonds6

About N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide

N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 110139606) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID110139606
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@]1(O)CN(C(=O)CCc2nnc(C(C)C)o2)C[C@H]1O
InChIInChI=1S/C15H24N4O5/c1-9(2)14-18-17-12(24-14)4-5-13(22)19-6-11(21)15(23,8-19)7-16-10(3)20/h9,11,21,23H,4-8H2,1-3H3,(H,16,20)/t11-,15+/m1/s1
InChIKeyCJHXHNCHNIBOBD-ABAIWWIYSA-N
XLogP-0.80
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[(Dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110108785
1-[3-Hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-YL]-3-(5-isopropyl-1,3,4-oxadiazol-2-YL)propan-1-one
CID 110108963
N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 110139446
N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 111577112
N-(2-hydroxy-3,3-dimethylbutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 112334744
N-(2-hydroxypropyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 112357587
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124944285
1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124944286
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124998626
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124998627
1-{3-[(Dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl}-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)propan-1-one; formic acid
CID 171688348

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide (CID 110139606) is N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)NC[C@]1(O)CN(C(=O)CCc2nnc(C(C)C)o2)C[C@H]1O.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is CJHXHNCHNIBOBD-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-9(2)14-18-17-12(24-14)4-5-13(22)19-6-11(21)15(23,8-19)7-16-10(3)20/h9,11,21,23H,4-8H2,1-3H3,(H,16,20)/t11-,15+/m1/s1.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 110139606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).