5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide

C19H15N3O2S — CID 733388

IUPAC5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc(C)on4)cc3)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-11-3-8-15-17(9-11)25-19(21-15)13-4-6-14(7-5-13)20-18(23)16-10-12(2)24-22-16/h3-10H,1-2H3,(H,20,23)
InChIKeyOWKZNZHMOJMFBX-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.82
Rot. Bonds3

About 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 733388) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID733388
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc(C)on4)cc3)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-11-3-8-15-17(9-11)25-19(21-15)13-4-6-14(7-5-13)20-18(23)16-10-12(2)24-22-16/h3-10H,1-2H3,(H,20,23)
InChIKeyOWKZNZHMOJMFBX-UHFFFAOYSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488497
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
3,4-dichloro-N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]benzamide
CID 154464144
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
4-chloro-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19577847
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 32976866
3-amino-5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 91217889

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 733388) is 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cc(C)on4)cc3)sc2c1.
What is the InChIKey of 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OWKZNZHMOJMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-3-8-15-17(9-11)25-19(21-15)13-4-6-14(7-5-13)20-18(23)16-10-12(2)24-22-16/h3-10H,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 733388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).