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

C14H13N3O2S — CID 97407381

IUPACN,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)N(C)C)cc23)cs1
InChIInChI=1S/C14H13N3O2S/c1-8-15-11(7-20-8)13-10-6-9(14(18)17(2)3)4-5-12(10)19-16-13/h4-7H,1-3H3
InChIKeyXUVYHFWJEMAKDH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.96
Rot. Bonds2

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

N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97407381) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97407381
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)N(C)C)cc23)cs1
InChIInChI=1S/C14H13N3O2S/c1-8-15-11(7-20-8)13-10-6-9(14(18)17(2)3)4-5-12(10)19-16-13/h4-7H,1-3H3
InChIKeyXUVYHFWJEMAKDH-UHFFFAOYSA-N
XLogP2.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446430
N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97385263
N-[3-(diethylamino)propyl]-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361929
N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361925
N-(6-methyl-3-pyridinyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361918
3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446455
[3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 97446394
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357317
N,N-dimethyl-4-oxochromene-6-carboxamide
CID 175524787
N-(1-hydroxypropan-2-yl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 109388507
N,N-dimethyl-2-benzothiophene-5-carboxamide
CID 174850919

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97407381) is N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)N(C)C)cc23)cs1.
What is the InChIKey of N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is XUVYHFWJEMAKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-15-11(7-20-8)13-10-6-9(14(18)17(2)3)4-5-12(10)19-16-13/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97407381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).