N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide

C19H19N3O2 — CID 5063740

IUPACN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)C1CCCCC1
InChIInChI=1S/C19H19N3O2/c23-18(13-4-2-1-3-5-13)21-15-6-7-17-16(12-15)22-19(24-17)14-8-10-20-11-9-14/h6-13H,1-5H2,(H,21,23)
InChIKeyKMDVUFYWEWLFLW-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.41
Rot. Bonds3

About N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide

N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide (PubChem CID 5063740) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
PubChem CID5063740
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)C1CCCCC1
InChIInChI=1S/C19H19N3O2/c23-18(13-4-2-1-3-5-13)21-15-6-7-17-16(12-15)22-19(24-17)14-8-10-20-11-9-14/h6-13H,1-5H2,(H,21,23)
InChIKeyKMDVUFYWEWLFLW-UHFFFAOYSA-N
XLogP4.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063739
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]cyclohexanecarboxamide
CID 670552
1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 22587200
2-methyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 6457333
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
N-[3-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907622
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide (CID 5063740) is N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide is O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)C1CCCCC1.
What is the InChIKey of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
The InChIKey is KMDVUFYWEWLFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(13-4-2-1-3-5-13)21-15-6-7-17-16(12-15)22-19(24-17)14-8-10-20-11-9-14/h6-13H,1-5H2,(H,21,23).
What are the key properties of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 5063740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).