5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid

C15H14N2O3 — CID 22320574

IUPAC5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCC1=CN(Cc2ccccc2)Cc2oc(C(=O)O)nc21
InChIInChI=1S/C15H14N2O3/c1-10-7-17(8-11-5-3-2-4-6-11)9-12-13(10)16-14(20-12)15(18)19/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyONQDTGASUIVDCP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.75
Rot. Bonds3

About 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid

5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid (PubChem CID 22320574) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid
PubChem CID22320574
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCC1=CN(Cc2ccccc2)Cc2oc(C(=O)O)nc21
InChIInChI=1S/C15H14N2O3/c1-10-7-17(8-11-5-3-2-4-6-11)9-12-13(10)16-14(20-12)15(18)19/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyONQDTGASUIVDCP-UHFFFAOYSA-N
XLogP2.75
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-chloro-1,3-oxazole-2-carboxylic acid
CID 96593319
1-benzyl-5-methyl-2,4-dihydropyridin-3-one
CID 91446287
1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680052
ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
CID 91161439
1-benzyl-2H-pyridine-3-carboxylic acid
CID 18410440
methyl 1-benzyl-5-(2-methoxy-2-oxoethyl)-2H-pyridine-3-carboxylate
CID 169224419
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169415488
1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea
CID 174713516
N-(1-benzylpyrrolidin-3-yl)-N,2-dimethyl-1,3-benzoxazole-4-carboxamide
CID 136538580
1-benzyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 22044317

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid (CID 22320574) is 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid is CC1=CN(Cc2ccccc2)Cc2oc(C(=O)O)nc21.
What is the InChIKey of 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid?
The InChIKey is ONQDTGASUIVDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-7-17(8-11-5-3-2-4-6-11)9-12-13(10)16-14(20-12)15(18)19/h2-7H,8-9H2,1H3,(H,18,19).
What are the key properties of 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid?
5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 22320574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).