3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H25N5O2 — CID 30663965

IUPAC3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C20H25N5O2/c1-12(2)15-6-8-16(9-7-15)20-22-18(27-24-20)11-10-17(26)21-19-13(3)23-25(5)14(19)4/h6-9,12H,10-11H2,1-5H3,(H,21,26)
InChIKeyCWRCDTGLWWNGMD-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.78
Rot. Bonds6

About 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 30663965) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID30663965
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C20H25N5O2/c1-12(2)15-6-8-16(9-7-15)20-22-18(27-24-20)11-10-17(26)21-19-13(3)23-25(5)14(19)4/h6-9,12H,10-11H2,1-5H3,(H,21,26)
InChIKeyCWRCDTGLWWNGMD-UHFFFAOYSA-N
XLogP3.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
N-(2,5-dimethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31063914
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-(5-amino-2-methylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 120568275
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55571747
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51098095
N-(4-bromo-2-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55512552
2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 119223600
N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18209688

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 30663965) is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1.
What is the InChIKey of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is CWRCDTGLWWNGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(2)15-6-8-16(9-7-15)20-22-18(27-24-20)11-10-17(26)21-19-13(3)23-25(5)14(19)4/h6-9,12H,10-11H2,1-5H3,(H,21,26).
What are the key properties of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 30663965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).