1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid

C16H19NO3 — CID 117435897

IUPAC1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3=NCCO3)c2)CCCCC1
InChIInChI=1S/C16H19NO3/c18-15(19)16(7-2-1-3-8-16)13-6-4-5-12(11-13)14-17-9-10-20-14/h4-6,11H,1-3,7-10H2,(H,18,19)
InChIKeyHOQCRWGQTUXWGW-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.75
Rot. Bonds3

About 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid

1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117435897) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117435897
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3=NCCO3)c2)CCCCC1
InChIInChI=1S/C16H19NO3/c18-15(19)16(7-2-1-3-8-16)13-6-4-5-12(11-13)14-17-9-10-20-14/h4-6,11H,1-3,7-10H2,(H,18,19)
InChIKeyHOQCRWGQTUXWGW-UHFFFAOYSA-N
XLogP2.75
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 139059691
1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid
CID 166242404
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117379310
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
CID 84671437
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
CID 173139178
2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250784
2-(3-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 141072002
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549723

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid (CID 117435897) is 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid is O=C(O)C1(c2cccc(C3=NCCO3)c2)CCCCC1.
What is the InChIKey of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is HOQCRWGQTUXWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(19)16(7-2-1-3-8-16)13-6-4-5-12(11-13)14-17-9-10-20-14/h4-6,11H,1-3,7-10H2,(H,18,19).
What are the key properties of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid?
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117435897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).