[carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate

C27H25N3O7 — CID 10505664

IUPAC[carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESNC(=O)N(OC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H]1COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C27H25N3O7/c28-25(31)30(37-27(33)29-20(16-36-26(29)32)13-18-7-3-1-4-8-18)23-17-35-24-14-21(11-12-22(23)24)34-15-19-9-5-2-6-10-19/h1-12,14,20,23H,13,15-17H2,(H2,28,31)/t20-,23+/m1/s1
InChIKeyQOANXUASIOGXGY-OFNKIYASSA-N
MW503.51 g/mol
LogP4.19
Rot. Bonds6

About [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate

[carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 10505664) has the molecular formula C27H25N3O7 and a molecular weight of 503.51 g/mol. Its IUPAC name is [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID10505664
Molecular FormulaC27H25N3O7
Molecular Weight503.51 g/mol
Exact Mass503.17
IUPAC Name[carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESNC(=O)N(OC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H]1COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C27H25N3O7/c28-25(31)30(37-27(33)29-20(16-36-26(29)32)13-18-7-3-1-4-8-18)23-17-35-24-14-21(11-12-22(23)24)34-15-19-9-5-2-6-10-19/h1-12,14,20,23H,13,15-17H2,(H2,28,31)/t20-,23+/m1/s1
InChIKeyQOANXUASIOGXGY-OFNKIYASSA-N
XLogP4.19
TPSA120.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[carbamoyl-[(1S)-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 10815274
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 15180731
(4S)-4-benzyl-3-[2-(3-phenyl-5-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;ethane
CID 91171300
(4S)-4-benzyl-3-[(4S)-5-[(4-phenylmethoxyphenyl)methyl]-2-sulfanylidene-1,3-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 5387494
4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-[(2,6-dimethyl-4-phenylmethoxyphenyl)methyl]-4-oxobutanal
CID 87353998
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
4-benzyl-3-[3-(1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 67330947
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 70043070
benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173
4-benzyl-3-[3-(2,3-dihydro-1,2-oxazol-3-yl)-3-(4-phenylmethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 67330497

Frequently Asked Questions

What is the IUPAC name of [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate (CID 10505664) is [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate is NC(=O)N(OC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H]1COc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is QOANXUASIOGXGY-OFNKIYASSA-N. The full InChI is InChI=1S/C27H25N3O7/c28-25(31)30(37-27(33)29-20(16-36-26(29)32)13-18-7-3-1-4-8-18)23-17-35-24-14-21(11-12-22(23)24)34-15-19-9-5-2-6-10-19/h1-12,14,20,23H,13,15-17H2,(H2,28,31)/t20-,23+/m1/s1.
What are the key properties of [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate?
[carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 503.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [carbamoyl-[(3R)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]amino] (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10505664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).