N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

C16H22N4O4 — CID 110127802

IUPACN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N[C@@H]2CCCC(n3ccnc3)[C@@H]2O)noc1C
InChIInChI=1S/C16H22N4O4/c1-10-11(8-23-2)14(19-24-10)16(22)18-12-4-3-5-13(15(12)21)20-7-6-17-9-20/h6-7,9,12-13,15,21H,3-5,8H2,1-2H3,(H,18,22)/t12-,13?,15-/m1/s1
InChIKeyIWAGKROWMRNSIG-ILWWEHDPSA-N
MW334.38 g/mol
LogP1.21
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 110127802) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID110127802
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N[C@@H]2CCCC(n3ccnc3)[C@@H]2O)noc1C
InChIInChI=1S/C16H22N4O4/c1-10-11(8-23-2)14(19-24-10)16(22)18-12-4-3-5-13(15(12)21)20-7-6-17-9-20/h6-7,9,12-13,15,21H,3-5,8H2,1-2H3,(H,18,22)/t12-,13?,15-/m1/s1
InChIKeyIWAGKROWMRNSIG-ILWWEHDPSA-N
XLogP1.21
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110125565
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110125354
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 110127788
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
CID 110127815
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
CID 110127757
2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
4-(methoxymethyl)-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118781171
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S,5S)-4-hydroxy-5-imidazol-1-ylazepan-1-yl]ethanone
CID 110126886
N-(2-imidazol-1-ylcyclopentyl)-2-(methylamino)acetamide
CID 43713522
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 19490314

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 110127802) is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is COCc1c(C(=O)N[C@@H]2CCCC(n3ccnc3)[C@@H]2O)noc1C.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IWAGKROWMRNSIG-ILWWEHDPSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-10-11(8-23-2)14(19-24-10)16(22)18-12-4-3-5-13(15(12)21)20-7-6-17-9-20/h6-7,9,12-13,15,21H,3-5,8H2,1-2H3,(H,18,22)/t12-,13?,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110127802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).