[(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone

C17H26N4O3 — CID 97377465

IUPAC[(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(C)c1CN1CCO[C@H]2CN(C(=O)N3CCCC3)C[C@H]21
InChIInChI=1S/C17H26N4O3/c1-12-14(13(2)24-18-12)9-20-7-8-23-16-11-21(10-15(16)20)17(22)19-5-3-4-6-19/h15-16H,3-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyYAQZMDQIMITGAH-CVEARBPZSA-N
MW334.42 g/mol
LogP1.39
Rot. Bonds2

About [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone

[(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97377465) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID97377465
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(C)c1CN1CCO[C@H]2CN(C(=O)N3CCCC3)C[C@H]21
InChIInChI=1S/C17H26N4O3/c1-12-14(13(2)24-18-12)9-20-7-8-23-16-11-21(10-15(16)20)17(22)19-5-3-4-6-19/h15-16H,3-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyYAQZMDQIMITGAH-CVEARBPZSA-N
XLogP1.39
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone (CID 97377465) is [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone is Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)N3CCCC3)C[C@H]21.
What is the InChIKey of [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YAQZMDQIMITGAH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-14(13(2)24-18-12)9-20-7-8-23-16-11-21(10-15(16)20)17(22)19-5-3-4-6-19/h15-16H,3-11H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
[(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97377465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).