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

C21H18N4O3S — CID 46975075

IUPAC5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(C(C)Oc4ccccc4)s3)no2)cc1
InChIInChI=1S/C21H18N4O3S/c1-13-8-10-15(11-9-13)18-12-17(25-28-18)19(26)22-21-24-23-20(29-21)14(2)27-16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H,22,24,26)
InChIKeyGIMMAPKOGRKOHD-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.89
Rot. Bonds6

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

5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46975075) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID46975075
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(C(C)Oc4ccccc4)s3)no2)cc1
InChIInChI=1S/C21H18N4O3S/c1-13-8-10-15(11-9-13)18-12-17(25-28-18)19(26)22-21-24-23-20(29-21)14(2)27-16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H,22,24,26)
InChIKeyGIMMAPKOGRKOHD-UHFFFAOYSA-N
XLogP4.89
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 24649242
4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide
CID 92626244
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904581
methyl 4,5-dimethyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 43981345
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 46977822
5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 52904574
methyl 4-[[5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 121030331
N-[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121030306
5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 39041608
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 134710433

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 46975075) is 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)Oc4ccccc4)s3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is GIMMAPKOGRKOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-13-8-10-15(11-9-13)18-12-17(25-28-18)19(26)22-21-24-23-20(29-21)14(2)27-16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H,22,24,26).
What are the key properties of 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46975075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).