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

C19H16N4O2S — CID 97446430

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)NCCc4ccncc4)cc23)cs1
InChIInChI=1S/C19H16N4O2S/c1-12-22-16(11-26-12)18-15-10-14(2-3-17(15)25-23-18)19(24)21-9-6-13-4-7-20-8-5-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,24)
InChIKeyNCVYNSBTXRANNI-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.63
Rot. Bonds5

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

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446430) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446430
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)NCCc4ccncc4)cc23)cs1
InChIInChI=1S/C19H16N4O2S/c1-12-22-16(11-26-12)18-15-10-14(2-3-17(15)25-23-18)19(24)21-9-6-13-4-7-20-8-5-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,24)
InChIKeyNCVYNSBTXRANNI-UHFFFAOYSA-N
XLogP3.63
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446455
N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407381
N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361925
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
CID 134075410
N-[3-(diethylamino)propyl]-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361929
N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97385263
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55575275
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide (CID 97446430) is 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)NCCc4ccncc4)cc23)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is NCVYNSBTXRANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-22-16(11-26-12)18-15-10-14(2-3-17(15)25-23-18)19(24)21-9-6-13-4-7-20-8-5-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,24).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.63, 5 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-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).