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

C21H27N3O2S — CID 75455121

IUPAC3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C21H27N3O2S/c1-16-18(19(26-23-16)17-7-3-2-4-8-17)20(25)22-15-21(9-5-6-10-21)24-11-13-27-14-12-24/h2-4,7-8H,5-6,9-15H2,1H3,(H,22,25)
InChIKeyLBAOFISUIHCCBG-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.74
Rot. Bonds5

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

3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 75455121) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID75455121
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C21H27N3O2S/c1-16-18(19(26-23-16)17-7-3-2-4-8-17)20(25)22-15-21(9-5-6-10-21)24-11-13-27-14-12-24/h2-4,7-8H,5-6,9-15H2,1H3,(H,22,25)
InChIKeyLBAOFISUIHCCBG-UHFFFAOYSA-N
XLogP3.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide (CID 75455121) is 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2)c1C(=O)NCC1(N2CCSCC2)CCCC1.
What is the InChIKey of 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is LBAOFISUIHCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-18(19(26-23-16)17-7-3-2-4-8-17)20(25)22-15-21(9-5-6-10-21)24-11-13-27-14-12-24/h2-4,7-8H,5-6,9-15H2,1H3,(H,22,25).
What are the key properties of 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide?
3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75455121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).