4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid

C20H17ClN2O3 — CID 56749369

IUPAC4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc1
InChIInChI=1S/C20H17ClN2O3/c21-16-7-5-14(6-8-16)19-17-12-23(10-9-18(17)26-22-19)11-13-1-3-15(4-2-13)20(24)25/h1-8H,9-12H2,(H,24,25)
InChIKeyIXJRLNRVANMXLO-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.25
Rot. Bonds4

About 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid

4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid (PubChem CID 56749369) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
PubChem CID56749369
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc1
InChIInChI=1S/C20H17ClN2O3/c21-16-7-5-14(6-8-16)19-17-12-23(10-9-18(17)26-22-19)11-13-1-3-15(4-2-13)20(24)25/h1-8H,9-12H2,(H,24,25)
InChIKeyIXJRLNRVANMXLO-UHFFFAOYSA-N
XLogP4.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid with MolForge

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Related Compounds

2-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetic acid
CID 56751638
3-phenyl-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25372194
[5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]furan-2-yl]methanol
CID 25296785
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one
CID 56739972
5-[(4-chlorophenyl)methylcarbamothioyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 87645027
1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 11742503
5-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 42564542
(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 95209327
3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
CID 56752367
3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 56749090
5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56743156

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
The IUPAC name of 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid (CID 56749369) is 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid is O=C(O)c1ccc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
The InChIKey is IXJRLNRVANMXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-16-7-5-14(6-8-16)19-17-12-23(10-9-18(17)26-22-19)11-13-1-3-15(4-2-13)20(24)25/h1-8H,9-12H2,(H,24,25).
What are the key properties of 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid?
4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid has a molecular weight of 368.82 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid is sourced from PubChem (CID 56749369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).