7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

C16H18N4O2S — CID 120853792

IUPAC7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESNC1(c2noc(-c3ccc4c(c3)NC(=O)CCS4)n2)CCCC1
InChIInChI=1S/C16H18N4O2S/c17-16(6-1-2-7-16)15-19-14(22-20-15)10-3-4-12-11(9-10)18-13(21)5-8-23-12/h3-4,9H,1-2,5-8,17H2,(H,18,21)
InChIKeyMADXWLAOEOUZQQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.90
Rot. Bonds2

About 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one (PubChem CID 120853792) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
PubChem CID120853792
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESNC1(c2noc(-c3ccc4c(c3)NC(=O)CCS4)n2)CCCC1
InChIInChI=1S/C16H18N4O2S/c17-16(6-1-2-7-16)15-19-14(22-20-15)10-3-4-12-11(9-10)18-13(21)5-8-23-12/h3-4,9H,1-2,5-8,17H2,(H,18,21)
InChIKeyMADXWLAOEOUZQQ-UHFFFAOYSA-N
XLogP2.90
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one with MolForge

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Related Compounds

1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854176
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-[5-[4-(1,3-dithian-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851878
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862025
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
CID 120853701
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-[4-(1,3-dithian-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860051

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The IUPAC name of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CID 120853792) is 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
What is the SMILES notation for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The canonical SMILES for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one is NC1(c2noc(-c3ccc4c(c3)NC(=O)CCS4)n2)CCCC1.
What is the InChIKey of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The InChIKey is MADXWLAOEOUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-16(6-1-2-7-16)15-19-14(22-20-15)10-3-4-12-11(9-10)18-13(21)5-8-23-12/h3-4,9H,1-2,5-8,17H2,(H,18,21).
What are the key properties of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one has a molecular weight of 330.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one is sourced from PubChem (CID 120853792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).