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

C19H19N3O2 — CID 5063739

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)C1CCCCC1
InChIInChI=1S/C19H19N3O2/c23-18(13-5-2-1-3-6-13)21-15-8-9-17-16(11-15)22-19(24-17)14-7-4-10-20-12-14/h4,7-13H,1-3,5-6H2,(H,21,23)
InChIKeyFXTIYHHWMPTXEX-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.41
Rot. Bonds3

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

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide (PubChem CID 5063739) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
PubChem CID5063739
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)C1CCCCC1
InChIInChI=1S/C19H19N3O2/c23-18(13-5-2-1-3-6-13)21-15-8-9-17-16(11-15)22-19(24-17)14-7-4-10-20-12-14/h4,7-13H,1-3,5-6H2,(H,21,23)
InChIKeyFXTIYHHWMPTXEX-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-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063740
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 130386733
4-chloro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2269824
6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide
CID 131979407
3-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 4909415
2-fluoro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2281577
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]cyclohexanecarboxamide
CID 670552

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide (CID 5063739) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)C1CCCCC1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
The InChIKey is FXTIYHHWMPTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(13-5-2-1-3-6-13)21-15-8-9-17-16(11-15)22-19(24-17)14-7-4-10-20-12-14/h4,7-13H,1-3,5-6H2,(H,21,23).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide?
N-(2-pyridin-3-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-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 5063739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).