1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine

C12H19N5O — CID 77089217

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
SMILESCCn1ncnc1CN(C)Cc1c(C)noc1C
InChIInChI=1S/C12H19N5O/c1-5-17-12(13-8-14-17)7-16(4)6-11-9(2)15-18-10(11)3/h8H,5-7H2,1-4H3
InChIKeyZRWGVQQVIHSVMP-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.53
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine (PubChem CID 77089217) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
PubChem CID77089217
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
SMILESCCn1ncnc1CN(C)Cc1c(C)noc1C
InChIInChI=1S/C12H19N5O/c1-5-17-12(13-8-14-17)7-16(4)6-11-9(2)15-18-10(11)3/h8H,5-7H2,1-4H3
InChIKeyZRWGVQQVIHSVMP-UHFFFAOYSA-N
XLogP1.53
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine (CID 77089217) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine is CCn1ncnc1CN(C)Cc1c(C)noc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The InChIKey is ZRWGVQQVIHSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-17-12(13-8-14-17)7-16(4)6-11-9(2)15-18-10(11)3/h8H,5-7H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77089217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).