N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C21H31N3O2 — CID 55712807

IUPACN-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NC(c2ccc(C(C)(C)C)cc2)C(C)C)n1
InChIInChI=1S/C21H31N3O2/c1-14(2)20(16-10-12-17(13-11-16)21(4,5)6)23-18(25)8-7-9-19-22-15(3)24-26-19/h10-14,20H,7-9H2,1-6H3,(H,23,25)
InChIKeyLLVNLELXLNFIKV-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.51
Rot. Bonds7

About N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55712807) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55712807
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NC(c2ccc(C(C)(C)C)cc2)C(C)C)n1
InChIInChI=1S/C21H31N3O2/c1-14(2)20(16-10-12-17(13-11-16)21(4,5)6)23-18(25)8-7-9-19-22-15(3)24-26-19/h10-14,20H,7-9H2,1-6H3,(H,23,25)
InChIKeyLLVNLELXLNFIKV-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide 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

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1-phenylpropyl)propanamide
CID 86917615
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
CID 119372360
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
CID 47209092
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
N-[2-(4-bromophenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55716404
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119608463
(2S,3S)-3-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193842
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-phenylpropanoic acid
CID 119165693
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51100406
N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 30670622
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55712807) is N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)NC(c2ccc(C(C)(C)C)cc2)C(C)C)n1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is LLVNLELXLNFIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(2)20(16-10-12-17(13-11-16)21(4,5)6)23-18(25)8-7-9-19-22-15(3)24-26-19/h10-14,20H,7-9H2,1-6H3,(H,23,25).
What are the key properties of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 357.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55712807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).