(3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide

C16H24N4O3 — CID 95129256

IUPAC(3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)no1
InChIInChI=1S/C16H24N4O3/c1-4-5-12-17-15(19-23-12)16(2,3)18-14(22)10-8-13(21)20(9-10)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,18,22)/t10-/m0/s1
InChIKeyHVVNIEYISPDSKS-JTQLQIEISA-N
MW320.39 g/mol
LogP1.38
Rot. Bonds6

About (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 95129256) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID95129256
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)no1
InChIInChI=1S/C16H24N4O3/c1-4-5-12-17-15(19-23-12)16(2,3)18-14(22)10-8-13(21)20(9-10)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,18,22)/t10-/m0/s1
InChIKeyHVVNIEYISPDSKS-JTQLQIEISA-N
XLogP1.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-ethyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 95129979
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 95130069
3-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261581
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360
1-cyclopentyl-4-[[(5-propyl-1,2,4-oxadiazol-3-yl)amino]methyl]pyrrolidin-2-one
CID 131912347
4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119203994
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670927
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95129510

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide (CID 95129256) is (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide is CCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)no1.
What is the InChIKey of (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is HVVNIEYISPDSKS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-5-12-17-15(19-23-12)16(2,3)18-14(22)10-8-13(21)20(9-10)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,18,22)/t10-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95129256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).