3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide

C20H15ClN2O3S — CID 122264336

IUPAC3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C20H15ClN2O3S/c1-12-18(19(23-26-12)14-5-2-3-6-15(14)21)20(24)22-11-13-8-9-16(25-13)17-7-4-10-27-17/h2-10H,11H2,1H3,(H,22,24)
InChIKeySGNOHYJGTLPJFA-UHFFFAOYSA-N
MW398.87 g/mol
LogP5.55
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 122264336) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID122264336
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C20H15ClN2O3S/c1-12-18(19(23-26-12)14-5-2-3-6-15(14)21)20(24)22-11-13-8-9-16(25-13)17-7-4-10-27-17/h2-10H,11H2,1H3,(H,22,24)
InChIKeySGNOHYJGTLPJFA-UHFFFAOYSA-N
XLogP5.55
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.87
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 92659553
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111
N-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78892389
3-(2-chlorophenyl)-5-methyl-N-(naphthalen-1-ylmethyl)-1,2-oxazole-4-carboxamide
CID 112817008
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 16866948
3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 90546480
3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide (CID 122264336) is 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(-c2cccs2)o1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SGNOHYJGTLPJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c1-12-18(19(23-26-12)14-5-2-3-6-15(14)21)20(24)22-11-13-8-9-16(25-13)17-7-4-10-27-17/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122264336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).