N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H22N4O5 — CID 155912269

IUPACN-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H]1C[C@H](C(=O)N2CCNC(=O)C2)C[C@@H]1O
InChIInChI=1S/C16H22N4O5/c1-8-14(9(2)25-19-8)15(23)18-11-5-10(6-12(11)21)16(24)20-4-3-17-13(22)7-20/h10-12,21H,3-7H2,1-2H3,(H,17,22)(H,18,23)/t10-,11-,12-/m0/s1
InChIKeyFOIDJXZVKHIWAR-SRVKXCTJSA-N
MW350.38 g/mol
LogP-0.88
Rot. Bonds3

About N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 155912269) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID155912269
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H]1C[C@H](C(=O)N2CCNC(=O)C2)C[C@@H]1O
InChIInChI=1S/C16H22N4O5/c1-8-14(9(2)25-19-8)15(23)18-11-5-10(6-12(11)21)16(24)20-4-3-17-13(22)7-20/h10-12,21H,3-7H2,1-2H3,(H,17,22)(H,18,23)/t10-,11-,12-/m0/s1
InChIKeyFOIDJXZVKHIWAR-SRVKXCTJSA-N
XLogP-0.88
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 155912269) is N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N[C@H]1C[C@H](C(=O)N2CCNC(=O)C2)C[C@@H]1O.
What is the InChIKey of N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is FOIDJXZVKHIWAR-SRVKXCTJSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-8-14(9(2)25-19-8)15(23)18-11-5-10(6-12(11)21)16(24)20-4-3-17-13(22)7-20/h10-12,21H,3-7H2,1-2H3,(H,17,22)(H,18,23)/t10-,11-,12-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-hydroxy-4-(3-oxopiperazine-1-carbonyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155912269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).