(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

C21H19N3O2S — CID 2091469

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-15-18(19(23-26-15)16-9-4-2-5-10-16)20(25)24-13-8-14-27-21(24)22-17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3/b22-21-
InChIKeyDNPUOUXWIOBVCL-DQRAZIAOSA-N
MW377.47 g/mol
LogP4.92
Rot. Bonds3

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (PubChem CID 2091469) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
PubChem CID2091469
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-15-18(19(23-26-15)16-9-4-2-5-10-16)20(25)24-13-8-14-27-21(24)22-17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3/b22-21-
InChIKeyDNPUOUXWIOBVCL-DQRAZIAOSA-N
XLogP4.92
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (CID 2091469) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The InChIKey is DNPUOUXWIOBVCL-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15-18(19(23-26-15)16-9-4-2-5-10-16)20(25)24-13-8-14-27-21(24)22-17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3/b22-21-.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone has a molecular weight of 377.47 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is sourced from PubChem (CID 2091469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).