4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide

C13H15N3O2 — CID 71931243

IUPAC4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H15N3O2/c1-8(2)10-5-4-6-11(7-10)14-13(17)12-9(3)15-18-16-12/h4-8H,1-3H3,(H,14,17)
InChIKeyZRDNMVXMYYBHNL-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.75
Rot. Bonds3

About 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 71931243) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID71931243
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H15N3O2/c1-8(2)10-5-4-6-11(7-10)14-13(17)12-9(3)15-18-16-12/h4-8H,1-3H3,(H,14,17)
InChIKeyZRDNMVXMYYBHNL-UHFFFAOYSA-N
XLogP2.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24825148
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
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3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
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4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 81225795
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
2-phenyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 57394997
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687601
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62077622

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 71931243) is 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZRDNMVXMYYBHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)10-5-4-6-11(7-10)14-13(17)12-9(3)15-18-16-12/h4-8H,1-3H3,(H,14,17).
What are the key properties of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 71931243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).