1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C17H18N4O2 — CID 120853645

IUPAC1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2ocnc2-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11-4-6-12(7-5-11)14-13(19-10-22-14)15-20-16(21-23-15)17(18)8-2-3-9-17/h4-7,10H,2-3,8-9,18H2,1H3
InChIKeyYVQHMLAOLCMOLP-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.43
Rot. Bonds3

About 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120853645) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120853645
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2ocnc2-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11-4-6-12(7-5-11)14-13(19-10-22-14)15-20-16(21-23-15)17(18)8-2-3-9-17/h4-7,10H,2-3,8-9,18H2,1H3
InChIKeyYVQHMLAOLCMOLP-UHFFFAOYSA-N
XLogP3.43
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine 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

1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861396
1-[5-(5-ethyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859912
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 120863292
1-[5-[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860005
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120853645) is 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1ccc(-c2ocnc2-c2nc(C3(N)CCCC3)no2)cc1.
What is the InChIKey of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is YVQHMLAOLCMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-4-6-12(7-5-11)14-13(19-10-22-14)15-20-16(21-23-15)17(18)8-2-3-9-17/h4-7,10H,2-3,8-9,18H2,1H3.
What are the key properties of 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 310.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(4-methylphenyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120853645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).