2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid

C14H21NO3 — CID 82219993

IUPAC2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
SMILESCc1oc(CCC2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C14H21NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,16,17)
InChIKeyNAJAUXWOJWZTBO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds5

About 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid

2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid (PubChem CID 82219993) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
PubChem CID82219993
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
SMILESCc1oc(CCC2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C14H21NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,16,17)
InChIKeyNAJAUXWOJWZTBO-UHFFFAOYSA-N
XLogP3.12
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid
CID 82219971
2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374693
2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 82219979
2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 43148598
2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid
CID 146570919
2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid
CID 90095766
2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid
CID 39197796
(2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide
CID 70410913
2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol
CID 82162918
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
2-[2-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,3-oxazol-4-yl]acetic acid
CID 82219984
N-(cyclopentylmethyl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627528

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid (CID 82219993) is 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid is Cc1oc(CCC2CCCCC2)nc1CC(=O)O.
What is the InChIKey of 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
The InChIKey is NAJAUXWOJWZTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid?
2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82219993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).