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

C15H13N3O3S — CID 2971506

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1
InChIInChI=1S/C15H13N3O3S/c1-9-7-12(18-21-9)14(19)17-15-16-13(8-22-15)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3,(H,16,17,19)
InChIKeyVMBCJYSFQWIQFM-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.37
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2971506) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2971506
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1
InChIInChI=1S/C15H13N3O3S/c1-9-7-12(18-21-9)14(19)17-15-16-13(8-22-15)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3,(H,16,17,19)
InChIKeyVMBCJYSFQWIQFM-UHFFFAOYSA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.37
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]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 2971506) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VMBCJYSFQWIQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9-7-12(18-21-9)14(19)17-15-16-13(8-22-15)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3,(H,16,17,19).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.37, 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]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2971506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).