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

C5H7BrN2O — CID 130116175

IUPAC(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine
SMILESCc1nc(CN)oc1Br
InChIInChI=1S/C5H7BrN2O/c1-3-5(6)9-4(2-7)8-3/h2,7H2,1H3
InChIKeyYNYFUONKYVVZJL-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.20
Rot. Bonds1

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

(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine (PubChem CID 130116175) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine
PubChem CID130116175
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine
SMILESCc1nc(CN)oc1Br
InChIInChI=1S/C5H7BrN2O/c1-3-5(6)9-4(2-7)8-3/h2,7H2,1H3
InChIKeyYNYFUONKYVVZJL-UHFFFAOYSA-N
XLogP1.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine
CID 68802787
(5-cyclohexyl-4-methyl-1,3-oxazol-2-yl)methanamine
CID 105448363
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232643
(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
CID 119031976
(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine
CID 105433844
[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82086154
[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82078799
[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride
CID 68801817
[5-(2-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82079249
[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine
CID 82283251
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629829

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine (CID 130116175) is (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine is Cc1nc(CN)oc1Br.
What is the InChIKey of (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine?
The InChIKey is YNYFUONKYVVZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-3-5(6)9-4(2-7)8-3/h2,7H2,1H3.
What are the key properties of (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine?
(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine has a molecular weight of 191.03 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 130116175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).