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

C13H10N4O3 — CID 47164595

IUPAC5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3nnco3)c2)no1
InChIInChI=1S/C13H10N4O3/c1-8-5-11(17-20-8)12(18)15-10-4-2-3-9(6-10)13-16-14-7-19-13/h2-7H,1H3,(H,15,18)
InChIKeyGLECICKPTUBSQL-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.29
Rot. Bonds3

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

5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 47164595) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID47164595
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3nnco3)c2)no1
InChIInChI=1S/C13H10N4O3/c1-8-5-11(17-20-8)12(18)15-10-4-2-3-9(6-10)13-16-14-7-19-13/h2-7H,1H3,(H,15,18)
InChIKeyGLECICKPTUBSQL-UHFFFAOYSA-N
XLogP2.29
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 79915544
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 60732690
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71931594
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
CID 86823154
5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16854864

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 47164595) is 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3nnco3)c2)no1.
What is the InChIKey of 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GLECICKPTUBSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-8-5-11(17-20-8)12(18)15-10-4-2-3-9(6-10)13-16-14-7-19-13/h2-7H,1H3,(H,15,18).
What are the key properties of 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47164595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).