2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid

C17H21NO4 — CID 67634785

IUPAC2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid
SMILESO=C(O)Cc1c(O)cccc1C1=NCC(C2CCCCC2)O1
InChIInChI=1S/C17H21NO4/c19-14-8-4-7-12(13(14)9-16(20)21)17-18-10-15(22-17)11-5-2-1-3-6-11/h4,7-8,11,15,19H,1-3,5-6,9-10H2,(H,20,21)
InChIKeyRVNRVGSXWMZSNX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.74
Rot. Bonds4

About 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid

2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid (PubChem CID 67634785) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid
PubChem CID67634785
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid
SMILESO=C(O)Cc1c(O)cccc1C1=NCC(C2CCCCC2)O1
InChIInChI=1S/C17H21NO4/c19-14-8-4-7-12(13(14)9-16(20)21)17-18-10-15(22-17)11-5-2-1-3-6-11/h4,7-8,11,15,19H,1-3,5-6,9-10H2,(H,20,21)
InChIKeyRVNRVGSXWMZSNX-UHFFFAOYSA-N
XLogP2.74
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid with MolForge

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Related Compounds

(4S)-5-[(5S)-5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]-6-ethyl-4-(3-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 70901664
(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)methanamine
CID 115061533
2-(1-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 135871162
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
cyclohexylcyclohexane;2-hydroxybenzoic acid
CID 70398658
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 137013046
2-(3-hydroxy-2-sulfanylphenyl)acetic acid
CID 91874082
2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
cyclohexanamine;2-phenylacetic acid
CID 70192288
N-(2-aminoethyl)-N-cyclohexyl-2-(2-hydroxyphenyl)acetamide
CID 80740387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid (CID 67634785) is 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid is O=C(O)Cc1c(O)cccc1C1=NCC(C2CCCCC2)O1.
What is the InChIKey of 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid?
The InChIKey is RVNRVGSXWMZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-14-8-4-7-12(13(14)9-16(20)21)17-18-10-15(22-17)11-5-2-1-3-6-11/h4,7-8,11,15,19H,1-3,5-6,9-10H2,(H,20,21).
What are the key properties of 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid?
2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl)-6-hydroxyphenyl]acetic acid is sourced from PubChem (CID 67634785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).