4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide

C20H23N3O2S — CID 25013645

IUPAC4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)N=C(C1CCCCC1)c1ncoc1S2
InChIInChI=1S/C20H23N3O2S/c1-2-10-21-19(24)14-8-9-16-15(11-14)23-17(13-6-4-3-5-7-13)18-20(26-16)25-12-22-18/h8-9,11-13H,2-7,10H2,1H3,(H,21,24)
InChIKeyKKAWGTCGWOWEER-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.98
Rot. Bonds4

About 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide

4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide (PubChem CID 25013645) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
PubChem CID25013645
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)N=C(C1CCCCC1)c1ncoc1S2
InChIInChI=1S/C20H23N3O2S/c1-2-10-21-19(24)14-8-9-16-15(11-14)23-17(13-6-4-3-5-7-13)18-20(26-16)25-12-22-18/h8-9,11-13H,2-7,10H2,1H3,(H,21,24)
InChIKeyKKAWGTCGWOWEER-UHFFFAOYSA-N
XLogP4.98
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
The IUPAC name of 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide (CID 25013645) is 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide is CCCNC(=O)c1ccc2c(c1)N=C(C1CCCCC1)c1ncoc1S2.
What is the InChIKey of 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
The InChIKey is KKAWGTCGWOWEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-10-21-19(24)14-8-9-16-15(11-14)23-17(13-6-4-3-5-7-13)18-20(26-16)25-12-22-18/h8-9,11-13H,2-7,10H2,1H3,(H,21,24).
What are the key properties of 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide is sourced from PubChem (CID 25013645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).