3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C10H15NO3 — CID 62312711

IUPAC3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(C2CCCCC2)=NO1
InChIInChI=1S/C10H15NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h7,9H,1-6H2,(H,12,13)
InChIKeyLIJRQAAGTPMRSB-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.80
Rot. Bonds2

About 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 62312711) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID62312711
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(C2CCCCC2)=NO1
InChIInChI=1S/C10H15NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h7,9H,1-6H2,(H,12,13)
InChIKeyLIJRQAAGTPMRSB-UHFFFAOYSA-N
XLogP1.80
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 62313264
3-(Oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 62386103
3-Cyclobutyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 80488207
3-(2-Methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 86093693
ethyl 3-hydroxy-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole-3-carboxylate
CID 134855117
3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
CID 2759271
5-Cyclohexyl-4,5-dihydroisoxazole-3-carboxylic acid
CID 66832151
3-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 69667885
Methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 141011001
3,3a,4,5,6,7-Hexahydro-2,1-benzoxazole-3-carboxylic acid
CID 153622699
Ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 163398260
3-methyl-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole-7a-carboxylic acid
CID 166662478

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 62312711) is 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1CC(C2CCCCC2)=NO1.
What is the InChIKey of 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is LIJRQAAGTPMRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h7,9H,1-6H2,(H,12,13).
What are the key properties of 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 62312711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).