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

C6H10N2O — CID 11018874

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
SMILESCc1noc(C)c1CN
InChIInChI=1S/C6H10N2O/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3
InChIKeyCXRIJWLNQSZJTG-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.75
Rot. Bonds1

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

(3,5-dimethyl-1,2-oxazol-4-yl)methanamine (PubChem CID 11018874) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
PubChem CID11018874
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methanamine
SMILESCc1noc(C)c1CN
InChIInChI=1S/C6H10N2O/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3
InChIKeyCXRIJWLNQSZJTG-UHFFFAOYSA-N
XLogP0.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
CID 88246
4-Ethynyl-3,5-dimethyl-1,2-oxazole
CID 53426609
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl thiocyanate
CID 134132278
2-(Dimethyl-1,2-oxazol-4-yl)ethan-1-amine
CID 2758570
4-Ethenyl-3,5-dimethyl-1,2-oxazole
CID 910190
3,5-Dimethylisoxazole-4-carbonitrile
CID 2776140
2-(Dimethyl-1,2-oxazol-4-yl)acetonitrile
CID 13792858
2-(3,5-Dimethyl-1,2-oxazol-4-yl)ethane-1-thiol
CID 25219629
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl carbamimidoselenoate;hydrochloride
CID 127031360
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl selenocyanate
CID 134153821

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methanamine (CID 11018874) is (3,5-dimethyl-1,2-oxazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methanamine is Cc1noc(C)c1CN.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methanamine?
The InChIKey is CXRIJWLNQSZJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methanamine?
(3,5-dimethyl-1,2-oxazol-4-yl)methanamine has a molecular weight of 126.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methanamine is sourced from PubChem (CID 11018874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).