N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine

C17H22N2O — CID 65182439

IUPACN-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCc1ccc(CCc2cnc(CCNC3CC3)o2)cc1
InChIInChI=1S/C17H22N2O/c1-13-2-4-14(5-3-13)6-9-16-12-19-17(20-16)10-11-18-15-7-8-15/h2-5,12,15,18H,6-11H2,1H3
InChIKeyIOVCCMMHEXULDD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.06
Rot. Bonds7

About N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine (PubChem CID 65182439) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
PubChem CID65182439
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESCc1ccc(CCc2cnc(CCNC3CC3)o2)cc1
InChIInChI=1S/C17H22N2O/c1-13-2-4-14(5-3-13)6-9-16-12-19-17(20-16)10-11-18-15-7-8-15/h2-5,12,15,18H,6-11H2,1H3
InChIKeyIOVCCMMHEXULDD-UHFFFAOYSA-N
XLogP3.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine (CID 65182439) is N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine is Cc1ccc(CCc2cnc(CCNC3CC3)o2)cc1.
What is the InChIKey of N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is IOVCCMMHEXULDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-2-4-14(5-3-13)6-9-16-12-19-17(20-16)10-11-18-15-7-8-15/h2-5,12,15,18H,6-11H2,1H3.
What are the key properties of N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 270.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 65182439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).