1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine

C16H26N4O — CID 71981103

IUPAC1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine
SMILESCCn1cc(CN(C)C(C)c2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C16H26N4O/c1-7-20-11-13(8-18-20)10-19(6)12(2)15-17-9-14(21-15)16(3,4)5/h8-9,11-12H,7,10H2,1-6H3
InChIKeyPHLVASLSADPXPS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.38
Rot. Bonds5

About 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine

1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine (PubChem CID 71981103) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine
PubChem CID71981103
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine
SMILESCCn1cc(CN(C)C(C)c2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C16H26N4O/c1-7-20-11-13(8-18-20)10-19(6)12(2)15-17-9-14(21-15)16(3,4)5/h8-9,11-12H,7,10H2,1-6H3
InChIKeyPHLVASLSADPXPS-UHFFFAOYSA-N
XLogP3.38
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
CID 86791923
N'-[(1-ethylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652366
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159196
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
CID 62128242
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine
CID 46991462
2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
CID 55041328
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine?
The IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine (CID 71981103) is 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine is CCn1cc(CN(C)C(C)c2ncc(C(C)(C)C)o2)cn1.
What is the InChIKey of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine?
The InChIKey is PHLVASLSADPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-7-20-11-13(8-18-20)10-19(6)12(2)15-17-9-14(21-15)16(3,4)5/h8-9,11-12H,7,10H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine?
1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine has a molecular weight of 290.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 71981103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).