1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C19H34N6O — CID 157471170

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESC=C(c1cc(C(C)(C)C)on1)N(C)C.CC(C)n1cnc(CN(C)C)n1
InChIInChI=1S/C11H18N2O.C8H16N4/c1-8(13(5)6)9-7-10(14-12-9)11(2,3)4;1-7(2)12-6-9-8(10-12)5-11(3)4/h7H,1H2,2-6H3;6-7H,5H2,1-4H3
InChIKeyBVBAMANAUORRQF-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.42
Rot. Bonds5

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine

1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 157471170) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID157471170
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESC=C(c1cc(C(C)(C)C)on1)N(C)C.CC(C)n1cnc(CN(C)C)n1
InChIInChI=1S/C11H18N2O.C8H16N4/c1-8(13(5)6)9-7-10(14-12-9)11(2,3)4;1-7(2)12-6-9-8(10-12)5-11(3)4/h7H,1H2,2-6H3;6-7H,5H2,1-4H3
InChIKeyBVBAMANAUORRQF-UHFFFAOYSA-N
XLogP3.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 157471170) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine is C=C(c1cc(C(C)(C)C)on1)N(C)C.CC(C)n1cnc(CN(C)C)n1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is BVBAMANAUORRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C8H16N4/c1-8(13(5)6)9-7-10(14-12-9)11(2,3)4;1-7(2)12-6-9-8(10-12)5-11(3)4/h7H,1H2,2-6H3;6-7H,5H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 362.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 157471170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).