5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide

C24H25N3O2S — CID 86873520

IUPAC5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCSCC2)c1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C24H25N3O2S/c28-23(25-20-8-4-5-17(15-20)16-27-11-13-30-14-12-27)21-22(18-9-10-18)29-24(26-21)19-6-2-1-3-7-19/h1-8,15,18H,9-14,16H2,(H,25,28)
InChIKeyGOKKHGXVRNDGDY-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.02
Rot. Bonds6

About 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 86873520) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID86873520
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCSCC2)c1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C24H25N3O2S/c28-23(25-20-8-4-5-17(15-20)16-27-11-13-30-14-12-27)21-22(18-9-10-18)29-24(26-21)19-6-2-1-3-7-19/h1-8,15,18H,9-14,16H2,(H,25,28)
InChIKeyGOKKHGXVRNDGDY-UHFFFAOYSA-N
XLogP5.02
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 86873520) is 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1cccc(CN2CCSCC2)c1)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GOKKHGXVRNDGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-23(25-20-8-4-5-17(15-20)16-27-11-13-30-14-12-27)21-22(18-9-10-18)29-24(26-21)19-6-2-1-3-7-19/h1-8,15,18H,9-14,16H2,(H,25,28).
What are the key properties of 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).