N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide

C20H20N2O2 — CID 777186

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCCC1
InChIInChI=1S/C20H20N2O2/c23-19(14-6-2-1-3-7-14)21-16-12-10-15(11-13-16)20-22-17-8-4-5-9-18(17)24-20/h4-5,8-14H,1-3,6-7H2,(H,21,23)
InChIKeyFQDFUUIJCCZCCK-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.01
Rot. Bonds3

About N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 777186) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
PubChem CID777186
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCCC1
InChIInChI=1S/C20H20N2O2/c23-19(14-6-2-1-3-7-14)21-16-12-10-15(11-13-16)20-22-17-8-4-5-9-18(17)24-20/h4-5,8-14H,1-3,6-7H2,(H,21,23)
InChIKeyFQDFUUIJCCZCCK-UHFFFAOYSA-N
XLogP5.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide
CID 10155316
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]cyclohexanecarboxamide
CID 670552
N-[3-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907622
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55493015
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063740
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
CID 129380761
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 131944662

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide (CID 777186) is N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is FQDFUUIJCCZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(14-6-2-1-3-7-14)21-16-12-10-15(11-13-16)20-22-17-8-4-5-9-18(17)24-20/h4-5,8-14H,1-3,6-7H2,(H,21,23).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 320.39 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 777186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).