2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid

C12H19NO3 — CID 175794257

IUPAC2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid
SMILESCC1(C[13C](=O)O)CC(C2CCCCC2)=NO1
InChIInChI=1S/C12H19NO3/c1-12(8-11(14)15)7-10(13-16-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15)/i11+1
InChIKeyDVKHJXNJCBMZJT-KHWBWMQUSA-N
MW226.28 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid

2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid (PubChem CID 175794257) has the molecular formula C12H19NO3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid
PubChem CID175794257
Molecular FormulaC12H19NO3
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid
SMILESCC1(C[13C](=O)O)CC(C2CCCCC2)=NO1
InChIInChI=1S/C12H19NO3/c1-12(8-11(14)15)7-10(13-16-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15)/i11+1
InChIKeyDVKHJXNJCBMZJT-KHWBWMQUSA-N
XLogP2.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-5-methyl-4,5-dihydro-1,2-oxazol-5-YL)acetic acid
CID 129011598
2-[3-cyclopropyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 172418372
(9E)-9-hydroxyimino-11-methyldodecanoic acid
CID 9964800
2-(4-Hydroxyiminocyclohexyl)acetic acid
CID 11240737
5,5-dipentyl-4H-1,2-oxazole-3-carboxylic acid
CID 66587689
4-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 69116535
4-Butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 69117134
3-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 69667885
9-Hydroxyimino-11-methyldodecanoic acid
CID 85078043
2-(2-Hydroxyiminocyclohexyl)acetic acid
CID 85673300
(9Z)-9-hydroxyimino-11-methyldodecanoic acid
CID 87886808
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexane-1-carboxylic acid
CID 130407937

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid (CID 175794257) is 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid is CC1(C[13C](=O)O)CC(C2CCCCC2)=NO1.
What is the InChIKey of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The InChIKey is DVKHJXNJCBMZJT-KHWBWMQUSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(8-11(14)15)7-10(13-16-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15)/i11+1.
What are the key properties of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid has a molecular weight of 226.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 175794257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).