(6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide

C19H23N3O3S — CID 97279180

IUPAC(6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1ccc(SCCc2ccccn2)cc1)N1CCOC[C@H](O)C1
InChIInChI=1S/C19H23N3O3S/c23-17-13-22(10-11-25-14-17)19(24)21-16-4-6-18(7-5-16)26-12-8-15-3-1-2-9-20-15/h1-7,9,17,23H,8,10-14H2,(H,21,24)/t17-/m1/s1
InChIKeyYSGZOQDBPKTWHE-QGZVFWFLSA-N
MW373.48 g/mol
LogP2.64
Rot. Bonds5

About (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide

(6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide (PubChem CID 97279180) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide
PubChem CID97279180
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1ccc(SCCc2ccccn2)cc1)N1CCOC[C@H](O)C1
InChIInChI=1S/C19H23N3O3S/c23-17-13-22(10-11-25-14-17)19(24)21-16-4-6-18(7-5-16)26-12-8-15-3-1-2-9-20-15/h1-7,9,17,23H,8,10-14H2,(H,21,24)/t17-/m1/s1
InChIKeyYSGZOQDBPKTWHE-QGZVFWFLSA-N
XLogP2.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide with MolForge

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Related Compounds

(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
(6S)-N-[4-(3-acetylphenyl)phenyl]-6-hydroxy-1,4-oxazepane-4-carboxamide
CID 97285821
N-(3-chloro-4-imidazol-1-ylphenyl)-6-hydroxy-1,4-oxazepane-4-carboxamide
CID 72863903
N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 156607956
6-[(dimethylamino)methyl]-N-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]-1,4-oxazepane-4-carboxamide
CID 72913280
3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
CID 72938452
(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 126439599
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
(6-hydroxy-1,4-oxazepan-4-yl)-[2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-pyridinyl]methanone
CID 70787978
cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 155983969
2-[2-(4-methoxyphenyl)sulfanylethyl]pyridine;oxalic acid
CID 2854786
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500

Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide?
The IUPAC name of (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide (CID 97279180) is (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide is O=C(Nc1ccc(SCCc2ccccn2)cc1)N1CCOC[C@H](O)C1.
What is the InChIKey of (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide?
The InChIKey is YSGZOQDBPKTWHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-17-13-22(10-11-25-14-17)19(24)21-16-4-6-18(7-5-16)26-12-8-15-3-1-2-9-20-15/h1-7,9,17,23H,8,10-14H2,(H,21,24)/t17-/m1/s1.
What are the key properties of (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide?
(6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxy-N-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 97279180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).