N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide

C15H19N3O2 — CID 19244562

IUPACN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
SMILESCc1ccc(C)c(-c2nonc2NC(=O)CC(C)C)c1
InChIInChI=1S/C15H19N3O2/c1-9(2)7-13(19)16-15-14(17-20-18-15)12-8-10(3)5-6-11(12)4/h5-6,8-9H,7H2,1-4H3,(H,16,18,19)
InChIKeyMNYKKUZSFJWJNR-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.34
Rot. Bonds4

About N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide

N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide (PubChem CID 19244562) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
PubChem CID19244562
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
SMILESCc1ccc(C)c(-c2nonc2NC(=O)CC(C)C)c1
InChIInChI=1S/C15H19N3O2/c1-9(2)7-13(19)16-15-14(17-20-18-15)12-8-10(3)5-6-11(12)4/h5-6,8-9H,7H2,1-4H3,(H,16,18,19)
InChIKeyMNYKKUZSFJWJNR-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 19244563
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244584
2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 19244551
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
CID 19244494
3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
CID 7678267
(E)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244514
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide
CID 19244528
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19244778
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
3-methyl-N-[6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]butanamide
CID 42694564
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide (CID 19244562) is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide is Cc1ccc(C)c(-c2nonc2NC(=O)CC(C)C)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide?
The InChIKey is MNYKKUZSFJWJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)7-13(19)16-15-14(17-20-18-15)12-8-10(3)5-6-11(12)4/h5-6,8-9H,7H2,1-4H3,(H,16,18,19).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide?
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide has a molecular weight of 273.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 19244562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).