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

C14H15BrN2O — CID 79146134

IUPACN-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1-c1ocnc1CNC1CC1
InChIInChI=1S/C14H15BrN2O/c1-9-2-3-10(15)6-12(9)14-13(17-8-18-14)7-16-11-4-5-11/h2-3,6,8,11,16H,4-5,7H2,1H3
InChIKeyBZKNKZFYRSQYII-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.66
Rot. Bonds4

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

N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79146134) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79146134
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1-c1ocnc1CNC1CC1
InChIInChI=1S/C14H15BrN2O/c1-9-2-3-10(15)6-12(9)14-13(17-8-18-14)7-16-11-4-5-11/h2-3,6,8,11,16H,4-5,7H2,1H3
InChIKeyBZKNKZFYRSQYII-UHFFFAOYSA-N
XLogP3.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79146134) is N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is Cc1ccc(Br)cc1-c1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BZKNKZFYRSQYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-2-3-10(15)6-12(9)14-13(17-8-18-14)7-16-11-4-5-11/h2-3,6,8,11,16H,4-5,7H2,1H3.
What are the key properties of N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 307.19 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79146134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).