1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

C15H22N4O2 — CID 126785147

IUPAC1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2nc(C3CCCC3)no2)oc1C
InChIInChI=1S/C15H22N4O2/c1-9-11(3)20-13(17-9)8-16-10(2)15-18-14(19-21-15)12-6-4-5-7-12/h10,12,16H,4-8H2,1-3H3
InChIKeySYEWLIFUXHPSQX-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.18
Rot. Bonds5

About 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 126785147) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID126785147
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2nc(C3CCCC3)no2)oc1C
InChIInChI=1S/C15H22N4O2/c1-9-11(3)20-13(17-9)8-16-10(2)15-18-14(19-21-15)12-6-4-5-7-12/h10,12,16H,4-8H2,1-3H3
InChIKeySYEWLIFUXHPSQX-UHFFFAOYSA-N
XLogP3.18
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 97335822
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-[(3-nitro-4-propan-2-ylphenyl)methyl]ethanamine
CID 119138814
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 64982225
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65402819
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 139019396
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 80610154
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 126785147) is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)c2nc(C3CCCC3)no2)oc1C.
What is the InChIKey of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is SYEWLIFUXHPSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9-11(3)20-13(17-9)8-16-10(2)15-18-14(19-21-15)12-6-4-5-7-12/h10,12,16H,4-8H2,1-3H3.
What are the key properties of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 290.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 126785147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).