2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide

C17H17N3O2 — CID 53199043

IUPAC2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NCc3ccccn3)cc2o1
InChIInChI=1S/C17H17N3O2/c1-11(2)17-20-14-7-6-12(9-15(14)22-17)16(21)19-10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyLHFFWQWPDXRXTJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.28
Rot. Bonds4

About 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide

2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 53199043) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID53199043
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NCc3ccccn3)cc2o1
InChIInChI=1S/C17H17N3O2/c1-11(2)17-20-14-7-6-12(9-15(14)22-17)16(21)19-10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyLHFFWQWPDXRXTJ-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
2,3-bis(furan-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 3239711
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074884
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 110762427
2-propan-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 53089491
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (CID 53199043) is 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is CC(C)c1nc2ccc(C(=O)NCc3ccccn3)cc2o1.
What is the InChIKey of 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is LHFFWQWPDXRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)17-20-14-7-6-12(9-15(14)22-17)16(21)19-10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53199043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).