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

C19H19ClN2O4S — CID 122162612

IUPAC3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(OCCO)c1ccsc1
InChIInChI=1S/C19H19ClN2O4S/c1-12-17(18(22-26-12)14-4-2-3-5-15(14)20)19(24)21-10-16(25-8-7-23)13-6-9-27-11-13/h2-6,9,11,16,23H,7-8,10H2,1H3,(H,21,24)
InChIKeyWRDCROUDVQRZII-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.84
Rot. Bonds8

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

3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122162612) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122162612
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(OCCO)c1ccsc1
InChIInChI=1S/C19H19ClN2O4S/c1-12-17(18(22-26-12)14-4-2-3-5-15(14)20)19(24)21-10-16(25-8-7-23)13-6-9-27-11-13/h2-6,9,11,16,23H,7-8,10H2,1H3,(H,21,24)
InChIKeyWRDCROUDVQRZII-UHFFFAOYSA-N
XLogP3.84
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-fluoro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162593
3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129356056
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
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
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
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CID 78892389
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 90613410
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764534
3-(2-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 884674
3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124891742
3-(2-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122162612) is 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(OCCO)c1ccsc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WRDCROUDVQRZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-12-17(18(22-26-12)14-4-2-3-5-15(14)20)19(24)21-10-16(25-8-7-23)13-6-9-27-11-13/h2-6,9,11,16,23H,7-8,10H2,1H3,(H,21,24).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 406.89 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122162612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).