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

C17H22N4OS — CID 42214103

IUPACN-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2ccc(C)s2)oc1C
InChIInChI=1S/C17H22N4OS/c1-4-20(10-11-21-9-5-8-18-21)12-15-14(3)22-17(19-15)16-7-6-13(2)23-16/h5-9H,4,10-12H2,1-3H3
InChIKeyCJMIOCOOKSJJBI-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.74
Rot. Bonds7

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

N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (PubChem CID 42214103) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
PubChem CID42214103
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(-c2ccc(C)s2)oc1C
InChIInChI=1S/C17H22N4OS/c1-4-20(10-11-21-9-5-8-18-21)12-15-14(3)22-17(19-15)16-7-6-13(2)23-16/h5-9H,4,10-12H2,1-3H3
InChIKeyCJMIOCOOKSJJBI-UHFFFAOYSA-N
XLogP3.74
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.74
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-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (CID 42214103) is N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1nc(-c2ccc(C)s2)oc1C.
What is the InChIKey of N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is CJMIOCOOKSJJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-4-20(10-11-21-9-5-8-18-21)12-15-14(3)22-17(19-15)16-7-6-13(2)23-16/h5-9H,4,10-12H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
N-ethyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 330.46 g/mol, XLogP of 3.74, 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-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 42214103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).