(4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C19H25N3O2S — CID 124794352

IUPAC(4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4nccs4)[C@@H]3C2)n1
InChIInChI=1S/C19H25N3O2S/c1-14-3-2-4-16(21-14)13-23-12-15-9-17-18(10-15)24-7-6-22(17)11-19-20-5-8-25-19/h2-5,8,15,17-18H,6-7,9-13H2,1H3/t15-,17+,18-/m0/s1
InChIKeyLVWOCJYRYDTQHC-JQHSSLGASA-N
MW359.50 g/mol
LogP3.04
Rot. Bonds6

About (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

(4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 124794352) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID124794352
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4nccs4)[C@@H]3C2)n1
InChIInChI=1S/C19H25N3O2S/c1-14-3-2-4-16(21-14)13-23-12-15-9-17-18(10-15)24-7-6-22(17)11-19-20-5-8-25-19/h2-5,8,15,17-18H,6-7,9-13H2,1H3/t15-,17+,18-/m0/s1
InChIKeyLVWOCJYRYDTQHC-JQHSSLGASA-N
XLogP3.04
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine with MolForge

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Related Compounds

(4aS,6S,7aS)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)methoxymethyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124817524
6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-methylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131651503
2-[[(4aR,6S,7aS)-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-N,N-dimethylacetamide
CID 124806966
(4aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4-pyridin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 133140601
(3-chlorophenyl)-[6-[(6-methyl-2-pyridinyl)methoxymethyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methanone
CID 155878449
(4aR,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-3-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131654225
(4aR,7aR)-4-(2-methoxyethyl)-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 133144995
(4aS,6S,7aR)-6-(pyridin-3-ylmethoxymethyl)-4-(pyridin-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97403810
(4aR,6S,7aR)-6-(pyridin-2-yloxymethyl)-4-(thiophen-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97378210
(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
(4aS,7R,7aR)-7-ethoxy-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97380488
(4aS,6R,7aS)-4-(5-methylpyrimidin-2-yl)-6-(pyridin-4-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97403829

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 124794352) is (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4nccs4)[C@@H]3C2)n1.
What is the InChIKey of (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is LVWOCJYRYDTQHC-JQHSSLGASA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-3-2-4-16(21-14)13-23-12-15-9-17-18(10-15)24-7-6-22(17)11-19-20-5-8-25-19/h2-5,8,15,17-18H,6-7,9-13H2,1H3/t15-,17+,18-/m0/s1.
What are the key properties of (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 359.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,7aS)-6-[(6-methyl-2-pyridinyl)methoxymethyl]-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 124794352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).