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

C19H14N2O2S — CID 55785711

IUPACN-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1csc2ccccc12)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H14N2O2S/c22-19(17-10-16(21-23-17)13-6-2-1-3-7-13)20-11-14-12-24-18-9-5-4-8-15(14)18/h1-10,12H,11H2,(H,20,22)
InChIKeyLAIXWEBQJUDSAK-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.49
Rot. Bonds4

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

N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 55785711) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID55785711
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1csc2ccccc12)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H14N2O2S/c22-19(17-10-16(21-23-17)13-6-2-1-3-7-13)20-11-14-12-24-18-9-5-4-8-15(14)18/h1-10,12H,11H2,(H,20,22)
InChIKeyLAIXWEBQJUDSAK-UHFFFAOYSA-N
XLogP4.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1-benzothiophen-3-ylmethylamino)-2-(methylamino)propanoic acid
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CID 108761306
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3-(1-benzothiophen-3-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 115164300
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 51081125
3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide
CID 25216704
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
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CID 108761369

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 55785711) is N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide is O=C(NCc1csc2ccccc12)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is LAIXWEBQJUDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-19(17-10-16(21-23-17)13-6-2-1-3-7-13)20-11-14-12-24-18-9-5-4-8-15(14)18/h1-10,12H,11H2,(H,20,22).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55785711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).