2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid

C14H14N2O3 — CID 91350154

IUPAC2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
SMILESCc1cccc(-c2nc3c(o2)CCN(C(=O)O)C3)c1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-4-10(7-9)13-15-11-8-16(14(17)18)6-5-12(11)19-13/h2-4,7H,5-6,8H2,1H3,(H,17,18)
InChIKeyLGGWCMTZGZOEOV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.69
Rot. Bonds1

About 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid

2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 91350154) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
PubChem CID91350154
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
SMILESCc1cccc(-c2nc3c(o2)CCN(C(=O)O)C3)c1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-4-10(7-9)13-15-11-8-16(14(17)18)6-5-12(11)19-13/h2-4,7H,5-6,8H2,1H3,(H,17,18)
InChIKeyLGGWCMTZGZOEOV-UHFFFAOYSA-N
XLogP2.69
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid (CID 91350154) is 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid is Cc1cccc(-c2nc3c(o2)CCN(C(=O)O)C3)c1.
What is the InChIKey of 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is LGGWCMTZGZOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-2-4-10(7-9)13-15-11-8-16(14(17)18)6-5-12(11)19-13/h2-4,7H,5-6,8H2,1H3,(H,17,18).
What are the key properties of 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid?
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 91350154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).