1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine

C12H18N4O — CID 66119659

IUPAC1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1cc(-c2cnc(C(C)N)o2)n(CC)n1
InChIInChI=1S/C12H18N4O/c1-4-9-6-10(16(5-2)15-9)11-7-14-12(17-11)8(3)13/h6-8H,4-5,13H2,1-3H3
InChIKeyMZRFZSDZZACWNV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds4

About 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine

1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 66119659) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID66119659
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1cc(-c2cnc(C(C)N)o2)n(CC)n1
InChIInChI=1S/C12H18N4O/c1-4-9-6-10(16(5-2)15-9)11-7-14-12(17-11)8(3)13/h6-8H,4-5,13H2,1-3H3
InChIKeyMZRFZSDZZACWNV-UHFFFAOYSA-N
XLogP2.14
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288536
5-Phenyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 53614566
1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
CID 177051076
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 37699590
1-ethyl-N-[(1S)-1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethyl]pyrazol-4-amine
CID 97880920
N-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 99822895
5-(2-Ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole
CID 136570458
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxamide
CID 44554991
5-(1-Ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole
CID 70851824
[5-(1-Ethyl-4-fluoro-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methanamine
CID 71055534
5-(1-Ethyl-4-fluoro-5-methylpyrazol-3-yl)-1,3-oxazole
CID 89032535
5-(1-Ethyl-4-fluoro-3-methylpyrazol-5-yl)-1,3-oxazole
CID 89147279

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine (CID 66119659) is 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine is CCc1cc(-c2cnc(C(C)N)o2)n(CC)n1.
What is the InChIKey of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is MZRFZSDZZACWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-9-6-10(16(5-2)15-9)11-7-14-12(17-11)8(3)13/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 66119659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).