N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide

C14H16N4O4 — CID 171722538

IUPACN-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1ncco1)c1ncco1
InChIInChI=1S/C14H16N4O4/c19-11(13-15-5-7-21-13)17-9-3-1-2-4-10(9)18-12(20)14-16-6-8-22-14/h5-10H,1-4H2,(H,17,19)(H,18,20)
InChIKeyJURDUDLUVCKMFD-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.13
Rot. Bonds4

About N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide

N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide (PubChem CID 171722538) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide
PubChem CID171722538
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCCCC1NC(=O)c1ncco1)c1ncco1
InChIInChI=1S/C14H16N4O4/c19-11(13-15-5-7-21-13)17-9-3-1-2-4-10(9)18-12(20)14-16-6-8-22-14/h5-10H,1-4H2,(H,17,19)(H,18,20)
InChIKeyJURDUDLUVCKMFD-UHFFFAOYSA-N
XLogP1.13
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172
2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
CID 96528381
3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide (CID 171722538) is N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide is O=C(NC1CCCCC1NC(=O)c1ncco1)c1ncco1.
What is the InChIKey of N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide?
The InChIKey is JURDUDLUVCKMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c19-11(13-15-5-7-21-13)17-9-3-1-2-4-10(9)18-12(20)14-16-6-8-22-14/h5-10H,1-4H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide?
N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 171722538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).