N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C15H18N2O — CID 65184115

IUPACN-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(-c2cnc(CNC3CC3)o2)c1
InChIInChI=1S/C15H18N2O/c1-10-5-11(2)7-12(6-10)14-8-17-15(18-14)9-16-13-3-4-13/h5-8,13,16H,3-4,9H2,1-2H3
InChIKeyUHSRSSIIDGOSKL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.21
Rot. Bonds4

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

N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65184115) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65184115
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(-c2cnc(CNC3CC3)o2)c1
InChIInChI=1S/C15H18N2O/c1-10-5-11(2)7-12(6-10)14-8-17-15(18-14)9-16-13-3-4-13/h5-8,13,16H,3-4,9H2,1-2H3
InChIKeyUHSRSSIIDGOSKL-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183620
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184355
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184308
N-[[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 82880087
2-(chloromethyl)-5-(3,5-dimethylphenyl)-1,3-oxazole
CID 65179393
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 79755784
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183911
N-[[5-(2-bromo-5-iodophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 114026663
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183820
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183913

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65184115) is N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is Cc1cc(C)cc(-c2cnc(CNC3CC3)o2)c1.
What is the InChIKey of N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is UHSRSSIIDGOSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-5-11(2)7-12(6-10)14-8-17-15(18-14)9-16-13-3-4-13/h5-8,13,16H,3-4,9H2,1-2H3.
What are the key properties of N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 242.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65184115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).