2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C24H18ClN3O7 — CID 169407330

IUPAC2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C24H18ClN3O7/c1-11-15(27-22(35-11)12-6-2-4-8-14(12)25)10-34-16-9-5-3-7-13(16)17-18(23(30)31)20(26)28-21(29)19(17)24(32)33/h2-9H,10H2,1H3,(H,30,31)(H,32,33)(H3,26,28,29)
InChIKeyAVPUKPWTGDBNQA-UHFFFAOYSA-N
MW495.88 g/mol
LogP4.22
Rot. Bonds7

About 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407330) has the molecular formula C24H18ClN3O7 and a molecular weight of 495.88 g/mol. Its IUPAC name is 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407330
Molecular FormulaC24H18ClN3O7
Molecular Weight495.88 g/mol
Exact Mass495.08
IUPAC Name2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C24H18ClN3O7/c1-11-15(27-22(35-11)12-6-2-4-8-14(12)25)10-34-16-9-5-3-7-13(16)17-18(23(30)31)20(26)28-21(29)19(17)24(32)33/h2-9H,10H2,1H3,(H,30,31)(H,32,33)(H3,26,28,29)
InChIKeyAVPUKPWTGDBNQA-UHFFFAOYSA-N
XLogP4.22
TPSA168.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.88
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid with MolForge

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Related Compounds

2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one
CID 168552796
2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406089
4-[[2-(1H-benzimidazol-2-yl)phenoxy]methyl]-2-(2-chlorophenyl)-5-methyl-1,3-oxazole
CID 168555303
2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
2-amino-6-oxo-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406334
2-amino-4-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406354
2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407671
2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405705
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
2-amino-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406547
2-amino-4-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406359
2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169407725

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407330) is 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Cc1oc(-c2ccccc2Cl)nc1COc1ccccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is AVPUKPWTGDBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O7/c1-11-15(27-22(35-11)12-6-2-4-8-14(12)25)10-34-16-9-5-3-7-13(16)17-18(23(30)31)20(26)28-21(29)19(17)24(32)33/h2-9H,10H2,1H3,(H,30,31)(H,32,33)(H3,26,28,29).
What are the key properties of 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 495.88 g/mol, XLogP of 4.22, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).