(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine

C13H15N3O — CID 58035515

IUPAC(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1noc(CN[C@H]2CC2c2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-9-15-13(17-16-9)8-14-12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3/t11?,12-/m0/s1
InChIKeyUCOWFDFKHOLJNS-KIYNQFGBSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds4

About (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 58035515) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID58035515
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCc1noc(CN[C@H]2CC2c2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-9-15-13(17-16-9)8-14-12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3/t11?,12-/m0/s1
InChIKeyUCOWFDFKHOLJNS-KIYNQFGBSA-N
XLogP2.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine (CID 58035515) is (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine is Cc1noc(CN[C@H]2CC2c2ccccc2)n1.
What is the InChIKey of (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is UCOWFDFKHOLJNS-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-15-13(17-16-9)8-14-12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3/t11?,12-/m0/s1.
What are the key properties of (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 229.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).