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

C14H12N4O3S — CID 1246159

IUPACN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1
InChIInChI=1S/C14H12N4O3S/c1-8-7-11(18-21-8)12(19)15-14-17-16-13(22-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,15,17,19)
InChIKeyHBAKYYPAFFDXGL-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.76
Rot. Bonds4

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

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 1246159) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID1246159
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1
InChIInChI=1S/C14H12N4O3S/c1-8-7-11(18-21-8)12(19)15-14-17-16-13(22-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,15,17,19)
InChIKeyHBAKYYPAFFDXGL-UHFFFAOYSA-N
XLogP2.76
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
N-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121029270
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 24649242
2-(3-chlorophenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100747610
N-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 73254179
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100560370

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 1246159) is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HBAKYYPAFFDXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-8-7-11(18-21-8)12(19)15-14-17-16-13(22-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,15,17,19).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1246159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).