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

C14H21N3O2 — CID 134078270

IUPAC7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCCOCC1CCC2C1OCCN2c1cnccn1
InChIInChI=1S/C14H21N3O2/c1-2-18-10-11-3-4-12-14(11)19-8-7-17(12)13-9-15-5-6-16-13/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3
InChIKeyLEBCNCIIJMPCTR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds4

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

7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 134078270) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID134078270
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCCOCC1CCC2C1OCCN2c1cnccn1
InChIInChI=1S/C14H21N3O2/c1-2-18-10-11-3-4-12-14(11)19-8-7-17(12)13-9-15-5-6-16-13/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3
InChIKeyLEBCNCIIJMPCTR-UHFFFAOYSA-N
XLogP1.50
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(ethoxymethyl)-4-pyrazin-2-yl-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

Related Compounds

[7-(prop-2-enoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 131644061
(4aR,7S,7aS)-4-pyrimidin-2-yl-7-(pyrimidin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124789711
4-(pyridin-3-ylmethyl)-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131650845
(4aR,7S,7aR)-7-(pyridin-3-ylmethoxymethyl)-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97378133
N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide
CID 134071566
(4aR,7R,7aS)-4-(2-ethoxyethyl)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124826757
(4aR,7R,7aR)-4-(pyridin-4-ylmethyl)-7-(1,3-thiazol-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124788932
(4aR,7R,7aR)-4-[(4-methoxyphenyl)methyl]-7-(pyridin-3-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124795642
(4aS,7aS)-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 155877615
(4aR,7S,7aS)-4-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124910242
(4aS,7S,7aR)-4-(furan-3-ylmethyl)-7-(pyridin-3-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97423402
(4aR,7S,7aS)-7-pyridin-3-yloxy-4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124909882

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 134078270) is 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is CCOCC1CCC2C1OCCN2c1cnccn1.
What is the InChIKey of 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is LEBCNCIIJMPCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-18-10-11-3-4-12-14(11)19-8-7-17(12)13-9-15-5-6-16-13/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3.
What are the key properties of 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 263.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 134078270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).