(4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C16H20N4O2S — CID 124789286

IUPAC(4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESc1cnc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1
InChIInChI=1S/C16H20N4O2S/c1-2-13-16(12(1)10-21-11-15-19-5-8-23-15)22-7-6-20(13)14-9-17-3-4-18-14/h3-5,8-9,12-13,16H,1-2,6-7,10-11H2/t12-,13-,16-/m1/s1
InChIKeyCWCOHGRFXBFCCC-XJKCOSOUSA-N
MW332.43 g/mol
LogP2.13
Rot. Bonds5

About (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

(4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 124789286) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID124789286
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESc1cnc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1
InChIInChI=1S/C16H20N4O2S/c1-2-13-16(12(1)10-21-11-15-19-5-8-23-15)22-7-6-20(13)14-9-17-3-4-18-14/h3-5,8-9,12-13,16H,1-2,6-7,10-11H2/t12-,13-,16-/m1/s1
InChIKeyCWCOHGRFXBFCCC-XJKCOSOUSA-N
XLogP2.13
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine 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 (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 124789286) is (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is c1cnc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1.
What is the InChIKey of (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is CWCOHGRFXBFCCC-XJKCOSOUSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-13-16(12(1)10-21-11-15-19-5-8-23-15)22-7-6-20(13)14-9-17-3-4-18-14/h3-5,8-9,12-13,16H,1-2,6-7,10-11H2/t12-,13-,16-/m1/s1.
What are the key properties of (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 332.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7R,7aR)-4-pyrazin-2-yl-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 124789286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).