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

C7H12N2O — CID 23006348

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)N
InChIInChI=1S/C7H12N2O/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3
InChIKeyFZJLBPYJNDDVPQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.31
Rot. Bonds1

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 23006348) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID23006348
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)N
InChIInChI=1S/C7H12N2O/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3
InChIKeyFZJLBPYJNDDVPQ-UHFFFAOYSA-N
XLogP1.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.31
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
2-(Dimethyl-1,2-oxazol-4-yl)ethan-1-amine
CID 2758570
3,5-Dimethylisoxazole-4-carbonitrile
CID 2776140
(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
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
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (CID 23006348) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is Cc1noc(C)c1C(C)N.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is FZJLBPYJNDDVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 23006348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).