[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine

C10H10BrN3O — CID 142610790

IUPAC[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1noc(-c2ccc(Br)cn2)c1CN
InChIInChI=1S/C10H10BrN3O/c1-6-8(4-12)10(15-14-6)9-3-2-7(11)5-13-9/h2-3,5H,4,12H2,1H3
InChIKeyHHVJLZKEPOEVHA-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.27
Rot. Bonds2

About [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine

[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 142610790) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID142610790
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1noc(-c2ccc(Br)cn2)c1CN
InChIInChI=1S/C10H10BrN3O/c1-6-8(4-12)10(15-14-6)9-3-2-7(11)5-13-9/h2-3,5H,4,12H2,1H3
InChIKeyHHVJLZKEPOEVHA-UHFFFAOYSA-N
XLogP2.27
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole
CID 175122889
2-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 136765417
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 23438610
5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole
CID 169499011
[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82475978
[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82483679
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120
4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
CID 82502400
5-(4-bromophenyl)-3-methyl-4-prop-2-enyl-1,2-oxazole
CID 66577235
trans-(1S,3S)-3-[[6-[4-(bromomethyl)-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155165052
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 66578224

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine (CID 142610790) is [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine is Cc1noc(-c2ccc(Br)cn2)c1CN.
What is the InChIKey of [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is HHVJLZKEPOEVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6-8(4-12)10(15-14-6)9-3-2-7(11)5-13-9/h2-3,5H,4,12H2,1H3.
What are the key properties of [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 268.11 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 142610790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).