N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine

C10H9BrN2O — CID 83312159

IUPACN-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
SMILESBrc1cccc(CNc2ccon2)c1
InChIInChI=1S/C10H9BrN2O/c11-9-3-1-2-8(6-9)7-12-10-4-5-14-13-10/h1-6H,7H2,(H,12,13)
InChIKeyJDXKKCKGAYVRMF-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.05
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine

N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine (PubChem CID 83312159) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
PubChem CID83312159
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
SMILESBrc1cccc(CNc2ccon2)c1
InChIInChI=1S/C10H9BrN2O/c11-9-3-1-2-8(6-9)7-12-10-4-5-14-13-10/h1-6H,7H2,(H,12,13)
InChIKeyJDXKKCKGAYVRMF-UHFFFAOYSA-N
XLogP3.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312160
1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79496120
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine
CID 82669485
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264865
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine
CID 170537548

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine (CID 83312159) is N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine is Brc1cccc(CNc2ccon2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine?
The InChIKey is JDXKKCKGAYVRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-9-3-1-2-8(6-9)7-12-10-4-5-14-13-10/h1-6H,7H2,(H,12,13).
What are the key properties of N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine?
N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine has a molecular weight of 253.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 83312159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).