N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide

C22H20N2O2S — CID 26401768

IUPACN-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCN(Cc1cc2ccccc2s1)C(=O)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C22H20N2O2S/c1-24(15-19-13-17-9-5-6-10-21(17)27-19)22(25)20-14-18(23-26-20)12-11-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3
InChIKeyHSIJWKYFXAPWNH-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.95
Rot. Bonds6

About N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide

N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 26401768) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
PubChem CID26401768
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCN(Cc1cc2ccccc2s1)C(=O)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C22H20N2O2S/c1-24(15-19-13-17-9-5-6-10-21(17)27-19)22(25)20-14-18(23-26-20)12-11-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3
InChIKeyHSIJWKYFXAPWNH-UHFFFAOYSA-N
XLogP4.95
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
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N-(1-benzothiophen-2-ylmethyl)-7-hydroxy-N-methyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135114669
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
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N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 70768734
N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 166370496
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
2-[2-acetamidoethyl(1-benzothiophen-2-ylmethyl)amino]propanoic acid
CID 122039139
3-(1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117119996
N-[(4-cyanophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 39859920
N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46482012

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide (CID 26401768) is N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide is CN(Cc1cc2ccccc2s1)C(=O)c1cc(CCc2ccccc2)no1.
What is the InChIKey of N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is HSIJWKYFXAPWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-24(15-19-13-17-9-5-6-10-21(17)27-19)22(25)20-14-18(23-26-20)12-11-16-7-3-2-4-8-16/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-ylmethyl)-N-methyl-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 26401768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).