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

C20H25N5O3 — CID 51133695

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)N(c3cnn(C)c3)C(C)C)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-14(2)25(16-12-21-24(3)13-16)19(26)7-5-6-18-22-20(23-28-18)15-8-10-17(27-4)11-9-15/h8-14H,5-7H2,1-4H3
InChIKeyLBYKHOMIQBYGAP-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.24
Rot. Bonds8

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

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide (PubChem CID 51133695) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide
PubChem CID51133695
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)N(c3cnn(C)c3)C(C)C)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-14(2)25(16-12-21-24(3)13-16)19(26)7-5-6-18-22-20(23-28-18)15-8-10-17(27-4)11-9-15/h8-14H,5-7H2,1-4H3
InChIKeyLBYKHOMIQBYGAP-UHFFFAOYSA-N
XLogP3.24
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 31974397
N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
CID 119653875
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
CID 119824065
N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
CID 55881198
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 135098669
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one;hydrochloride
CID 120658030
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55779461
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119539652

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide (CID 51133695) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide is COc1ccc(-c2noc(CCCC(=O)N(c3cnn(C)c3)C(C)C)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide?
The InChIKey is LBYKHOMIQBYGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14(2)25(16-12-21-24(3)13-16)19(26)7-5-6-18-22-20(23-28-18)15-8-10-17(27-4)11-9-15/h8-14H,5-7H2,1-4H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide has a molecular weight of 383.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 51133695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).