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

C14H15ClN2O — CID 65183620

IUPACN-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2cnc(CNC3CC3)o2)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-9-2-3-10(6-12(9)15)13-7-17-14(18-13)8-16-11-4-5-11/h2-3,6-7,11,16H,4-5,8H2,1H3
InChIKeyCEWCTNYOJAEKEI-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.56
Rot. Bonds4

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

N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65183620) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65183620
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2cnc(CNC3CC3)o2)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-9-2-3-10(6-12(9)15)13-7-17-14(18-13)8-16-11-4-5-11/h2-3,6-7,11,16H,4-5,8H2,1H3
InChIKeyCEWCTNYOJAEKEI-UHFFFAOYSA-N
XLogP3.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65183620) is N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is Cc1ccc(-c2cnc(CNC3CC3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is CEWCTNYOJAEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-2-3-10(6-12(9)15)13-7-17-14(18-13)8-16-11-4-5-11/h2-3,6-7,11,16H,4-5,8H2,1H3.
What are the key properties of N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 262.74 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65183620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).