N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine

C16H20N4OS — CID 42299091

IUPACN-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C16H20N4OS/c1-3-19(9-10-20-8-5-7-17-20)12-14-13(2)21-16(18-14)15-6-4-11-22-15/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyAQJVVWODYZFUOQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.43
Rot. Bonds7

About N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine

N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 42299091) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID42299091
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C16H20N4OS/c1-3-19(9-10-20-8-5-7-17-20)12-14-13(2)21-16(18-14)15-6-4-11-22-15/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyAQJVVWODYZFUOQ-UHFFFAOYSA-N
XLogP3.43
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine (CID 42299091) is N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is AQJVVWODYZFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-19(9-10-20-8-5-7-17-20)12-14-13(2)21-16(18-14)15-6-4-11-22-15/h4-8,11H,3,9-10,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine?
N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 316.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 42299091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).