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

C14H12N4O3 — CID 16854864

IUPAC5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3cc(C)on3)o2)c1
InChIInChI=1S/C14H12N4O3/c1-8-4-3-5-10(6-8)13-16-17-14(20-13)15-12(19)11-7-9(2)21-18-11/h3-7H,1-2H3,(H,15,17,19)
InChIKeySJWQRGTZWTTZHU-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.59
Rot. Bonds3

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

5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 16854864) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID16854864
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)c3cc(C)on3)o2)c1
InChIInChI=1S/C14H12N4O3/c1-8-4-3-5-10(6-8)13-16-17-14(20-13)15-12(19)11-7-9(2)21-18-11/h3-7H,1-2H3,(H,15,17,19)
InChIKeySJWQRGTZWTTZHU-UHFFFAOYSA-N
XLogP2.59
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 16854864) is 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(-c2nnc(NC(=O)c3cc(C)on3)o2)c1.
What is the InChIKey of 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is SJWQRGTZWTTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-8-4-3-5-10(6-8)13-16-17-14(20-13)15-12(19)11-7-9(2)21-18-11/h3-7H,1-2H3,(H,15,17,19).
What are the key properties of 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16854864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).