[(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone

C16H22N4O4 — CID 97362669

IUPAC[(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCOc1cc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)ncn1
InChIInChI=1S/C16H22N4O4/c1-22-15-5-14(17-10-18-15)19-6-11-8-23-9-13(12(11)7-19)16(21)20-3-2-4-24-20/h5,10-13H,2-4,6-9H2,1H3/t11-,12-,13-/m1/s1
InChIKeyWFSCWDQQDUCEFH-JHJVBQTASA-N
MW334.38 g/mol
LogP0.35
Rot. Bonds3

About [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone

[(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97362669) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97362669
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name[(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCOc1cc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)ncn1
InChIInChI=1S/C16H22N4O4/c1-22-15-5-14(17-10-18-15)19-6-11-8-23-9-13(12(11)7-19)16(21)20-3-2-4-24-20/h5,10-13H,2-4,6-9H2,1H3/t11-,12-,13-/m1/s1
InChIKeyWFSCWDQQDUCEFH-JHJVBQTASA-N
XLogP0.35
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone 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 [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97362669) is [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone is COc1cc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)ncn1.
What is the InChIKey of [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is WFSCWDQQDUCEFH-JHJVBQTASA-N. The full InChI is InChI=1S/C16H22N4O4/c1-22-15-5-14(17-10-18-15)19-6-11-8-23-9-13(12(11)7-19)16(21)20-3-2-4-24-20/h5,10-13H,2-4,6-9H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97362669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).