N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

C15H13N3O2S — CID 51098304

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1
InChIInChI=1S/C15H13N3O2S/c1-8-16-7-13(21-8)14(19)17-10-4-5-12-11(6-10)18-15(20-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,17,19)
InChIKeyOQOKMOZGBPSBBU-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.72
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51098304) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID51098304
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1
InChIInChI=1S/C15H13N3O2S/c1-8-16-7-13(21-8)14(19)17-10-4-5-12-11(6-10)18-15(20-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,17,19)
InChIKeyOQOKMOZGBPSBBU-UHFFFAOYSA-N
XLogP3.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46416202
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 46416324
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 167804334
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 94783798

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide (CID 51098304) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OQOKMOZGBPSBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-8-16-7-13(21-8)14(19)17-10-4-5-12-11(6-10)18-15(20-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,17,19).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51098304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).