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

C14H15BrN2O2 — CID 79144718

IUPACN-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(-c2ocnc2CNC2CC2)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-10-4-5-12(15)11(6-10)14-13(17-8-19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3
InChIKeyUVDFDQGYCRCWTL-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.36
Rot. Bonds5

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

N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79144718) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79144718
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(-c2ocnc2CNC2CC2)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-10-4-5-12(15)11(6-10)14-13(17-8-19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3
InChIKeyUVDFDQGYCRCWTL-UHFFFAOYSA-N
XLogP3.36
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145567
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568
N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146134
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 106856519
N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146136
N-[[5-(5-bromo-2-iodophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114032303
N-[[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146129
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 81487884
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145659
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79144718) is N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is COc1ccc(Br)c(-c2ocnc2CNC2CC2)c1.
What is the InChIKey of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is UVDFDQGYCRCWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-10-4-5-12(15)11(6-10)14-13(17-8-19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3.
What are the key properties of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 323.19 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79144718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).