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

C15H22N4O2 — CID 164632600

IUPAC(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCc1noc(C)c1CN[C@@H](C)c1nc(C2CCCC2)no1
InChIInChI=1S/C15H22N4O2/c1-9-13(11(3)20-18-9)8-16-10(2)15-17-14(19-21-15)12-6-4-5-7-12/h10,12,16H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyNQCBYCPOMGJCIX-JTQLQIEISA-N
MW290.37 g/mol
LogP3.18
Rot. Bonds5

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

(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine (PubChem CID 164632600) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
PubChem CID164632600
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCc1noc(C)c1CN[C@@H](C)c1nc(C2CCCC2)no1
InChIInChI=1S/C15H22N4O2/c1-9-13(11(3)20-18-9)8-16-10(2)15-17-14(19-21-15)12-6-4-5-7-12/h10,12,16H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyNQCBYCPOMGJCIX-JTQLQIEISA-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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine (CID 164632600) is (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine is Cc1noc(C)c1CN[C@@H](C)c1nc(C2CCCC2)no1.
What is the InChIKey of (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The InChIKey is NQCBYCPOMGJCIX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9-13(11(3)20-18-9)8-16-10(2)15-17-14(19-21-15)12-6-4-5-7-12/h10,12,16H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-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 (1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 164632600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).