3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide

C17H12N4O2S — CID 97446429

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4cccnc4)cc23)cs1
InChIInChI=1S/C17H12N4O2S/c1-10-19-14(9-24-10)16-13-7-11(4-5-15(13)23-21-16)17(22)20-12-3-2-6-18-8-12/h2-9H,1H3,(H,20,22)
InChIKeyPHLMHSABZHJCFU-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.91
Rot. Bonds3

About 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide

3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide (PubChem CID 97446429) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide
PubChem CID97446429
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4cccnc4)cc23)cs1
InChIInChI=1S/C17H12N4O2S/c1-10-19-14(9-24-10)16-13-7-11(4-5-15(13)23-21-16)17(22)20-12-3-2-6-18-8-12/h2-9H,1H3,(H,20,22)
InChIKeyPHLMHSABZHJCFU-UHFFFAOYSA-N
XLogP3.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446424
N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446624
N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446643
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 31519531
N-butyl-2-[6-(cyclopropylmethylamino)-1,2-benzoxazol-3-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 97526341
6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 49356137
6-(4-fluorophenyl)-3-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56431147
5-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 56461703
N-[(3,4-difluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361871
N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361874
N-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361875
N-[(2,4-difluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361880

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide (CID 97446429) is 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)Nc4cccnc4)cc23)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide?
The InChIKey is PHLMHSABZHJCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-10-19-14(9-24-10)16-13-7-11(4-5-15(13)23-21-16)17(22)20-12-3-2-6-18-8-12/h2-9H,1H3,(H,20,22).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).