2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid

C17H18N2O6 — CID 125153535

IUPAC2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2ncoc2[C@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C17H18N2O6/c1-23-12-5-4-10(7-11(12)17(21)22)8-18-16(20)14-15(25-9-19-14)13-3-2-6-24-13/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyVBKXKSVSSFAZEP-CYBMUJFWSA-N
MW346.34 g/mol
LogP2.16
Rot. Bonds6

About 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid

2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 125153535) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
PubChem CID125153535
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2ncoc2[C@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C17H18N2O6/c1-23-12-5-4-10(7-11(12)17(21)22)8-18-16(20)14-15(25-9-19-14)13-3-2-6-24-13/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyVBKXKSVSSFAZEP-CYBMUJFWSA-N
XLogP2.16
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125147615
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 111386281
N-[(2-cyclobutyloxyphenyl)methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 71930731
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
CID 125153443
2-[[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245130
2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
CID 125153162
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
5-[[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124687981
2-benzyl-3-[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119233820
(2S)-2-benzyl-3-[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 125152186
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid
CID 166367990

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid (CID 125153535) is 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid is COc1ccc(CNC(=O)c2ncoc2[C@H]2CCCO2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is VBKXKSVSSFAZEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-23-12-5-4-10(7-11(12)17(21)22)8-18-16(20)14-15(25-9-19-14)13-3-2-6-24-13/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid has a molecular weight of 346.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 125153535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).