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

C18H27N3O2S — CID 119041699

IUPAC5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(N2CCSCC2)CCCCC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H27N3O2S/c22-17(15-12-16(23-20-15)14-4-5-14)19-13-18(6-2-1-3-7-18)21-8-10-24-11-9-21/h12,14H,1-11,13H2,(H,19,22)
InChIKeyYYBFILLNPYFIDH-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.03
Rot. Bonds5

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

5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 119041699) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID119041699
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(N2CCSCC2)CCCCC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H27N3O2S/c22-17(15-12-16(23-20-15)14-4-5-14)19-13-18(6-2-1-3-7-18)21-8-10-24-11-9-21/h12,14H,1-11,13H2,(H,19,22)
InChIKeyYYBFILLNPYFIDH-UHFFFAOYSA-N
XLogP3.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide (CID 119041699) is 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YYBFILLNPYFIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(15-12-16(23-20-15)14-4-5-14)19-13-18(6-2-1-3-7-18)21-8-10-24-11-9-21/h12,14H,1-11,13H2,(H,19,22).
What are the key properties of 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119041699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).