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

C16H20N2O — CID 79145750

IUPACN-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccccc1CCc1ocnc1CNC1CC1
InChIInChI=1S/C16H20N2O/c1-12-4-2-3-5-13(12)6-9-16-15(18-11-19-16)10-17-14-7-8-14/h2-5,11,14,17H,6-10H2,1H3
InChIKeyOBTRXTLNMLIZHI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.02
Rot. Bonds6

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

N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79145750) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79145750
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccccc1CCc1ocnc1CNC1CC1
InChIInChI=1S/C16H20N2O/c1-12-4-2-3-5-13(12)6-9-16-15(18-11-19-16)10-17-14-7-8-14/h2-5,11,14,17H,6-10H2,1H3
InChIKeyOBTRXTLNMLIZHI-UHFFFAOYSA-N
XLogP3.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79145750) is N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine is Cc1ccccc1CCc1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OBTRXTLNMLIZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-2-3-5-13(12)6-9-16-15(18-11-19-16)10-17-14-7-8-14/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 256.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79145750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).