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

C19H26N4O2 — CID 120857416

IUPACN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide
SMILESCc1cc(-c2nc(C3(N)CCCC3)no2)ccc1NC(=O)CC(C)C
InChIInChI=1S/C19H26N4O2/c1-12(2)10-16(24)21-15-7-6-14(11-13(15)3)17-22-18(23-25-17)19(20)8-4-5-9-19/h6-7,11-12H,4-5,8-10,20H2,1-3H3,(H,21,24)
InChIKeyYRINPCYKRKYLOI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.76
Rot. Bonds5

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

N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide (PubChem CID 120857416) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide
PubChem CID120857416
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide
SMILESCc1cc(-c2nc(C3(N)CCCC3)no2)ccc1NC(=O)CC(C)C
InChIInChI=1S/C19H26N4O2/c1-12(2)10-16(24)21-15-7-6-14(11-13(15)3)17-22-18(23-25-17)19(20)8-4-5-9-19/h6-7,11-12H,4-5,8-10,20H2,1-3H3,(H,21,24)
InChIKeyYRINPCYKRKYLOI-UHFFFAOYSA-N
XLogP3.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 120860719
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
CID 120863605
1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
CID 120852189
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylpropyl)aniline;hydrochloride
CID 120857240
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide (CID 120857416) is N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide is Cc1cc(-c2nc(C3(N)CCCC3)no2)ccc1NC(=O)CC(C)C.
What is the InChIKey of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide?
The InChIKey is YRINPCYKRKYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)10-16(24)21-15-7-6-14(11-13(15)3)17-22-18(23-25-17)19(20)8-4-5-9-19/h6-7,11-12H,4-5,8-10,20H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide?
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide has a molecular weight of 342.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 120857416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).