N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide

C13H16N4O3 — CID 146110207

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cocn1
InChIInChI=1S/C13H16N4O3/c18-12-4-9(5-17-2-1-14-7-17)3-10(12)16-13(19)11-6-20-8-15-11/h1-2,6-10,12,18H,3-5H2,(H,16,19)/t9?,10-,12-/m1/s1
InChIKeyGKRDGRPMTZYEFP-GTFYECCDSA-N
MW276.30 g/mol
LogP0.44
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide (PubChem CID 146110207) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
PubChem CID146110207
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cocn1
InChIInChI=1S/C13H16N4O3/c18-12-4-9(5-17-2-1-14-7-17)3-10(12)16-13(19)11-6-20-8-15-11/h1-2,6-10,12,18H,3-5H2,(H,16,19)/t9?,10-,12-/m1/s1
InChIKeyGKRDGRPMTZYEFP-GTFYECCDSA-N
XLogP0.44
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
CID 146110346
5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
CID 146110443
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 166286243
2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
CID 166286230
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 146110347
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146110168
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
CID 146110527
5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
CID 146110307
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 146110268
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 146110281

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide (CID 146110207) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cocn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GKRDGRPMTZYEFP-GTFYECCDSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-12-4-9(5-17-2-1-14-7-17)3-10(12)16-13(19)11-6-20-8-15-11/h1-2,6-10,12,18H,3-5H2,(H,16,19)/t9?,10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146110207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).