3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H16ClN3O3S — CID 55872638

IUPAC3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C17H16ClN3O3S/c1-19-16(22)8-10-4-2-3-5-11(10)20-17(23)13-9-12(21-24-13)14-6-7-15(18)25-14/h2-7,13H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyGBLGQKIXONHJQK-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.82
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55872638) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55872638
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C17H16ClN3O3S/c1-19-16(22)8-10-4-2-3-5-11(10)20-17(23)13-9-12(21-24-13)14-6-7-15(18)25-14/h2-7,13H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyGBLGQKIXONHJQK-UHFFFAOYSA-N
XLogP2.82
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55872638) is 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CNC(=O)Cc1ccccc1NC(=O)C1CC(c2ccc(Cl)s2)=NO1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GBLGQKIXONHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-19-16(22)8-10-4-2-3-5-11(10)20-17(23)13-9-12(21-24-13)14-6-7-15(18)25-14/h2-7,13H,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55872638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).