2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide

C19H15N3O2S — CID 134799573

IUPAC2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1ncccc1-c1nc2cc(C(=O)NCc3cccs3)ccc2o1
InChIInChI=1S/C19H15N3O2S/c1-12-15(5-2-8-20-12)19-22-16-10-13(6-7-17(16)24-19)18(23)21-11-14-4-3-9-25-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyDTNQBRVPRXGPIC-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide

2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 134799573) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID134799573
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1ncccc1-c1nc2cc(C(=O)NCc3cccs3)ccc2o1
InChIInChI=1S/C19H15N3O2S/c1-12-15(5-2-8-20-12)19-22-16-10-13(6-7-17(16)24-19)18(23)21-11-14-4-3-9-25-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyDTNQBRVPRXGPIC-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 11694515
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134797934
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 20916275
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53148873
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
2-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42518502
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide (CID 134799573) is 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide is Cc1ncccc1-c1nc2cc(C(=O)NCc3cccs3)ccc2o1.
What is the InChIKey of 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is DTNQBRVPRXGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-15(5-2-8-20-12)19-22-16-10-13(6-7-17(16)24-19)18(23)21-11-14-4-3-9-25-14/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 134799573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).