(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide

C17H25N5O5 — CID 157019447

IUPAC(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(CN1CCOC1=O)N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O
InChIInChI=1S/C17H25N5O5/c23-14-10-12(16(25)18-3-1-5-22-6-2-4-19-22)9-13(14)20-15(24)11-21-7-8-27-17(21)26/h2,4,6,12-14,23H,1,3,5,7-11H2,(H,18,25)(H,20,24)/t12-,13-,14-/m0/s1
InChIKeyQRDVNFOYHXPMMP-IHRRRGAJSA-N
MW379.42 g/mol
LogP-0.90
Rot. Bonds8

About (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide

(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 157019447) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
PubChem CID157019447
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC Name(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(CN1CCOC1=O)N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O
InChIInChI=1S/C17H25N5O5/c23-14-10-12(16(25)18-3-1-5-22-6-2-4-19-22)9-13(14)20-15(24)11-21-7-8-27-17(21)26/h2,4,6,12-14,23H,1,3,5,7-11H2,(H,18,25)(H,20,24)/t12-,13-,14-/m0/s1
InChIKeyQRDVNFOYHXPMMP-IHRRRGAJSA-N
XLogP-0.90
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

(1S,3S,4S)-3-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxy-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
CID 157015089
3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-(3-pyrazol-1-ylpropylcarbamoyl)cyclohexyl]benzamide
CID 155909946
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 25375014
(3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 169421545
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 138379271
5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 71896956
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643
N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
CID 157014672
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
(1S,3R,4R)-3-amino-4-methoxy-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 155508081

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide (CID 157019447) is (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide is O=C(CN1CCOC1=O)N[C@H]1C[C@H](C(=O)NCCCn2cccn2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is QRDVNFOYHXPMMP-IHRRRGAJSA-N. The full InChI is InChI=1S/C17H25N5O5/c23-14-10-12(16(25)18-3-1-5-22-6-2-4-19-22)9-13(14)20-15(24)11-21-7-8-27-17(21)26/h2,4,6,12-14,23H,1,3,5,7-11H2,(H,18,25)(H,20,24)/t12-,13-,14-/m0/s1.
What are the key properties of (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide?
(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of -0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 157019447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).