N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H15N3O3S — CID 7733308

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-9-14(10(2)22-19-9)15(20)18-16-17-13(8-23-16)11-4-6-12(21-3)7-5-11/h4-8H,1-3H3,(H,17,18,20)
InChIKeyCMQZZSLYIZZTPG-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 7733308) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID7733308
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-9-14(10(2)22-19-9)15(20)18-16-17-13(8-23-16)11-4-6-12(21-3)7-5-11/h4-8H,1-3H3,(H,17,18,20)
InChIKeyCMQZZSLYIZZTPG-UHFFFAOYSA-N
XLogP3.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 7733308) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is CMQZZSLYIZZTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-14(10(2)22-19-9)15(20)18-16-17-13(8-23-16)11-4-6-12(21-3)7-5-11/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 7733308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).