(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide

C17H20N2O7 — CID 11003003

IUPAC(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide
SMILESCC1(C)OC[C@H]([C@H]2O[C@]3(C(=O)Nc4ccccc4)NC(=O)O[C@@H]3[C@H]2O)O1
InChIInChI=1S/C17H20N2O7/c1-16(2)23-8-10(25-16)12-11(20)13-17(26-12,19-15(22)24-13)14(21)18-9-6-4-3-5-7-9/h3-7,10-13,20H,8H2,1-2H3,(H,18,21)(H,19,22)/t10-,11+,12-,13-,17-/m1/s1
InChIKeyLZFVKBLMVJHBGK-QMZWZUABSA-N
MW364.35 g/mol
LogP0.34
Rot. Bonds3

About (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide

(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide (PubChem CID 11003003) has the molecular formula C17H20N2O7 and a molecular weight of 364.35 g/mol. Its IUPAC name is (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide
PubChem CID11003003
Molecular FormulaC17H20N2O7
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide
SMILESCC1(C)OC[C@H]([C@H]2O[C@]3(C(=O)Nc4ccccc4)NC(=O)O[C@@H]3[C@H]2O)O1
InChIInChI=1S/C17H20N2O7/c1-16(2)23-8-10(25-16)12-11(20)13-17(26-12,19-15(22)24-13)14(21)18-9-6-4-3-5-7-9/h3-7,10-13,20H,8H2,1-2H3,(H,18,21)(H,19,22)/t10-,11+,12-,13-,17-/m1/s1
InChIKeyLZFVKBLMVJHBGK-QMZWZUABSA-N
XLogP0.34
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide?
The IUPAC name of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide (CID 11003003) is (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide.
What is the SMILES notation for (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide?
The canonical SMILES for (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide is CC1(C)OC[C@H]([C@H]2O[C@]3(C(=O)Nc4ccccc4)NC(=O)O[C@@H]3[C@H]2O)O1.
What is the InChIKey of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide?
The InChIKey is LZFVKBLMVJHBGK-QMZWZUABSA-N. The full InChI is InChI=1S/C17H20N2O7/c1-16(2)23-8-10(25-16)12-11(20)13-17(26-12,19-15(22)24-13)14(21)18-9-6-4-3-5-7-9/h3-7,10-13,20H,8H2,1-2H3,(H,18,21)(H,19,22)/t10-,11+,12-,13-,17-/m1/s1.
What are the key properties of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide?
(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide is sourced from PubChem (CID 11003003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).