N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C26H23N3O4S — CID 55447838

IUPACN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2cc(-c3ccccc3)on2)c1C(=O)N1CCOCC1
InChIInChI=1S/C26H23N3O4S/c1-17-22(26(31)29-12-14-32-15-13-29)25(34-23(17)19-10-6-3-7-11-19)27-24(30)20-16-21(33-28-20)18-8-4-2-5-9-18/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyOGGCWFXJSRKBQE-UHFFFAOYSA-N
MW473.55 g/mol
LogP5.10
Rot. Bonds5

About N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 55447838) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID55447838
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2cc(-c3ccccc3)on2)c1C(=O)N1CCOCC1
InChIInChI=1S/C26H23N3O4S/c1-17-22(26(31)29-12-14-32-15-13-29)25(34-23(17)19-10-6-3-7-11-19)27-24(30)20-16-21(33-28-20)18-8-4-2-5-9-18/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyOGGCWFXJSRKBQE-UHFFFAOYSA-N
XLogP5.10
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 55447838) is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1c(-c2ccccc2)sc(NC(=O)c2cc(-c3ccccc3)on2)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OGGCWFXJSRKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-17-22(26(31)29-12-14-32-15-13-29)25(34-23(17)19-10-6-3-7-11-19)27-24(30)20-16-21(33-28-20)18-8-4-2-5-9-18/h2-11,16H,12-15H2,1H3,(H,27,30).
What are the key properties of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55447838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).