4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

C18H20N2O5 — CID 120543413

IUPAC4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCc1nc(C(=O)NCC2(C(=O)O)CCOCC2)c(-c2ccccc2)o1
InChIInChI=1S/C18H20N2O5/c1-12-20-14(15(25-12)13-5-3-2-4-6-13)16(21)19-11-18(17(22)23)7-9-24-10-8-18/h2-6H,7-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCGKMMINKPKZPEB-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.26
Rot. Bonds5

About 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 120543413) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID120543413
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCc1nc(C(=O)NCC2(C(=O)O)CCOCC2)c(-c2ccccc2)o1
InChIInChI=1S/C18H20N2O5/c1-12-20-14(15(25-12)13-5-3-2-4-6-13)16(21)19-11-18(17(22)23)7-9-24-10-8-18/h2-6H,7-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCGKMMINKPKZPEB-UHFFFAOYSA-N
XLogP2.26
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

1-[[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543649
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
4-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543132
4-[[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541889
4-[[(3-hydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438410
8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid
CID 120535696
4-[[(3-bromopyridine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107517226
4-[(isoquinoline-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120543387
4-[[(2-methyl-1,3-benzothiazole-7-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 166295834
4-[[(2-propan-2-ylquinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542666
1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361778
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 120543413) is 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is Cc1nc(C(=O)NCC2(C(=O)O)CCOCC2)c(-c2ccccc2)o1.
What is the InChIKey of 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is CGKMMINKPKZPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-20-14(15(25-12)13-5-3-2-4-6-13)16(21)19-11-18(17(22)23)7-9-24-10-8-18/h2-6H,7-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120543413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).