(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide

C20H24N4O4 — CID 155914451

IUPAC(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide
SMILESO=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)NCc2cc(C3CC3)on2)C[C@@H]1O
InChIInChI=1S/C20H24N4O4/c25-17-8-14(7-16(17)23-19(26)6-12-2-1-5-21-10-12)20(27)22-11-15-9-18(28-24-15)13-3-4-13/h1-2,5,9-10,13-14,16-17,25H,3-4,6-8,11H2,(H,22,27)(H,23,26)/t14-,16-,17-/m0/s1
InChIKeyVWRQNWMICTUVSG-XIRDDKMYSA-N
MW384.44 g/mol
LogP1.06
Rot. Bonds7

About (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide

(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide (PubChem CID 155914451) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide
PubChem CID155914451
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide
SMILESO=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)NCc2cc(C3CC3)on2)C[C@@H]1O
InChIInChI=1S/C20H24N4O4/c25-17-8-14(7-16(17)23-19(26)6-12-2-1-5-21-10-12)20(27)22-11-15-9-18(28-24-15)13-3-4-13/h1-2,5,9-10,13-14,16-17,25H,3-4,6-8,11H2,(H,22,27)(H,23,26)/t14-,16-,17-/m0/s1
InChIKeyVWRQNWMICTUVSG-XIRDDKMYSA-N
XLogP1.06
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide (CID 155914451) is (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide is O=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)NCc2cc(C3CC3)on2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide?
The InChIKey is VWRQNWMICTUVSG-XIRDDKMYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-17-8-14(7-16(17)23-19(26)6-12-2-1-5-21-10-12)20(27)22-11-15-9-18(28-24-15)13-3-4-13/h1-2,5,9-10,13-14,16-17,25H,3-4,6-8,11H2,(H,22,27)(H,23,26)/t14-,16-,17-/m0/s1.
What are the key properties of (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide?
(1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxy-4-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 155914451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).