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

C16H16N2O5 — CID 125147615

IUPAC3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2ncoc2[C@H]2CCCO2)c1
InChIInChI=1S/C16H16N2O5/c19-15(13-14(23-9-18-13)12-5-2-6-22-12)17-8-10-3-1-4-11(7-10)16(20)21/h1,3-4,7,9,12H,2,5-6,8H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyBSNSPWJGRORKKE-GFCCVEGCSA-N
MW316.31 g/mol
LogP2.15
Rot. Bonds5

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

3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 125147615) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
PubChem CID125147615
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2ncoc2[C@H]2CCCO2)c1
InChIInChI=1S/C16H16N2O5/c19-15(13-14(23-9-18-13)12-5-2-6-22-12)17-8-10-3-1-4-11(7-10)16(20)21/h1,3-4,7,9,12H,2,5-6,8H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyBSNSPWJGRORKKE-GFCCVEGCSA-N
XLogP2.15
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125153535
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 111386281
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
5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide
CID 124737099
2-[[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245130
N-[(2-cyclobutyloxyphenyl)methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 71930731
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 97015113
[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015114

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid (CID 125147615) is 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)c2ncoc2[C@H]2CCCO2)c1.
What is the InChIKey of 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is BSNSPWJGRORKKE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-15(13-14(23-9-18-13)12-5-2-6-22-12)17-8-10-3-1-4-11(7-10)16(20)21/h1,3-4,7,9,12H,2,5-6,8H2,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid?
3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid has a molecular weight of 316.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 125147615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).