(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane

C17H22N2O2S — CID 75367718

IUPAC(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane
SMILESCc1nc(C)c(CN2CCOC[C@H](Oc3ccccc3)C2)s1
InChIInChI=1S/C17H22N2O2S/c1-13-17(22-14(2)18-13)11-19-8-9-20-12-16(10-19)21-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyIKHRACHUMIIWJJ-MRXNPFEDSA-N
MW318.44 g/mol
LogP3.04
Rot. Bonds4

About (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane

(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane (PubChem CID 75367718) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane
PubChem CID75367718
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane
SMILESCc1nc(C)c(CN2CCOC[C@H](Oc3ccccc3)C2)s1
InChIInChI=1S/C17H22N2O2S/c1-13-17(22-14(2)18-13)11-19-8-9-20-12-16(10-19)21-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyIKHRACHUMIIWJJ-MRXNPFEDSA-N
XLogP3.04
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane?
The IUPAC name of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane (CID 75367718) is (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane is Cc1nc(C)c(CN2CCOC[C@H](Oc3ccccc3)C2)s1.
What is the InChIKey of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane?
The InChIKey is IKHRACHUMIIWJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13-17(22-14(2)18-13)11-19-8-9-20-12-16(10-19)21-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane?
(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane has a molecular weight of 318.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-phenoxy-1,4-oxazepane is sourced from PubChem (CID 75367718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).