2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide

C19H19N3O3 — CID 3267440

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)NC(C)C)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)20-18(23)15-6-4-5-7-16(15)19-21-17(22-25-19)13-8-10-14(24-3)11-9-13/h4-12H,1-3H3,(H,20,23)
InChIKeyMFDQZXRPJQJSJQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.55
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide (PubChem CID 3267440) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
PubChem CID3267440
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)NC(C)C)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)20-18(23)15-6-4-5-7-16(15)19-21-17(22-25-19)13-8-10-14(24-3)11-9-13/h4-12H,1-3H3,(H,20,23)
InChIKeyMFDQZXRPJQJSJQ-UHFFFAOYSA-N
XLogP3.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3159481
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 4293558
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
2-bromo-N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124712245
2-bromo-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 118984645
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]naphthalene-1-carboxamide
CID 118984652
3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50779053

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide (CID 3267440) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide is COc1ccc(-c2noc(-c3ccccc3C(=O)NC(C)C)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
The InChIKey is MFDQZXRPJQJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)20-18(23)15-6-4-5-7-16(15)19-21-17(22-25-19)13-8-10-14(24-3)11-9-13/h4-12H,1-3H3,(H,20,23).
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 3267440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).