1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine

C11H11BrN2O — CID 79496120

IUPAC1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ccon2)c1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-2-9(6-10)7-13-8-11-4-5-15-14-11/h1-6,13H,7-8H2
InChIKeyWSHOEVVAHYDQLY-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine

1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 79496120) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID79496120
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ccon2)c1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-2-9(6-10)7-13-8-11-4-5-15-14-11/h1-6,13H,7-8H2
InChIKeyWSHOEVVAHYDQLY-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312159
N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
1-(3-bromophenyl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748377
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496
N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81171216
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495823
1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115597102
1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 46344511
N-[(3-bromophenyl)methyl]prop-2-en-1-amine
CID 4717920
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 79496120) is 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is Brc1cccc(CNCc2ccon2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is WSHOEVVAHYDQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-3-1-2-9(6-10)7-13-8-11-4-5-15-14-11/h1-6,13H,7-8H2.
What are the key properties of 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 267.13 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 79496120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).