2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid

C12H16N2O4 — CID 64672317

IUPAC2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccon2)CCCCC1
InChIInChI=1S/C12H16N2O4/c15-10(16)8-12(5-2-1-3-6-12)13-11(17)9-4-7-18-14-9/h4,7H,1-3,5-6,8H2,(H,13,17)(H,15,16)
InChIKeyCTHPCENJKZMTOC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid

2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid (PubChem CID 64672317) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
PubChem CID64672317
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccon2)CCCCC1
InChIInChI=1S/C12H16N2O4/c15-10(16)8-12(5-2-1-3-6-12)13-11(17)9-4-7-18-14-9/h4,7H,1-3,5-6,8H2,(H,13,17)(H,15,16)
InChIKeyCTHPCENJKZMTOC-UHFFFAOYSA-N
XLogP1.58
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81158788
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-(1,3-thiazole-4-carbonylamino)cyclopentyl]acetic acid
CID 64671214
2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64686290
N-[1-(chloromethyl)-3-methylcyclohexyl]-1,2-oxazole-3-carboxamide
CID 114304118
2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
CID 80722552
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 114037372

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid (CID 64672317) is 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2ccon2)CCCCC1.
What is the InChIKey of 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid?
The InChIKey is CTHPCENJKZMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-10(16)8-12(5-2-1-3-6-12)13-11(17)9-4-7-18-14-9/h4,7H,1-3,5-6,8H2,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid?
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64672317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).