N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide

C11H16N2O4 — CID 97040038

IUPACN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H](CO)[C@H](O)C2)no1
InChIInChI=1S/C11H16N2O4/c1-6-2-9(13-17-6)11(16)12-8-3-7(5-14)10(15)4-8/h2,7-8,10,14-15H,3-5H2,1H3,(H,12,16)/t7-,8-,10-/m1/s1
InChIKeyGEKQKYYSNHCLMC-NQMVMOMDSA-N
MW240.26 g/mol
LogP-0.16
Rot. Bonds3

About N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 97040038) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID97040038
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H](CO)[C@H](O)C2)no1
InChIInChI=1S/C11H16N2O4/c1-6-2-9(13-17-6)11(16)12-8-3-7(5-14)10(15)4-8/h2,7-8,10,14-15H,3-5H2,1H3,(H,12,16)/t7-,8-,10-/m1/s1
InChIKeyGEKQKYYSNHCLMC-NQMVMOMDSA-N
XLogP-0.16
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
CID 98783711
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
(1S,5R)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohex-3-ene-1-carboxylic acid
CID 166249928
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 71785720
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 98783386
5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
CID 96576211
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide
CID 98783443
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 97040038) is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2C[C@H](CO)[C@H](O)C2)no1.
What is the InChIKey of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GEKQKYYSNHCLMC-NQMVMOMDSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-2-9(13-17-6)11(16)12-8-3-7(5-14)10(15)4-8/h2,7-8,10,14-15H,3-5H2,1H3,(H,12,16)/t7-,8-,10-/m1/s1.
What are the key properties of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97040038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).