3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid

C14H15N3O3 — CID 117435506

IUPAC3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN(C)c2c(-c3cc(C(=O)O)on3)cccc21
InChIInChI=1S/C14H15N3O3/c1-16-6-7-17(2)13-9(4-3-5-11(13)16)10-8-12(14(18)19)20-15-10/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyDZPJYMOPHBGIPN-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.93
Rot. Bonds2

About 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid

3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117435506) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID117435506
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN(C)c2c(-c3cc(C(=O)O)on3)cccc21
InChIInChI=1S/C14H15N3O3/c1-16-6-7-17(2)13-9(4-3-5-11(13)16)10-8-12(14(18)19)20-15-10/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyDZPJYMOPHBGIPN-UHFFFAOYSA-N
XLogP1.93
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117395880
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-[2-(4-methyltriazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117428609
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 55035014
3-[2-hydroxy-3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 137017039
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435286
3-(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117407248
3-(1,2-benzoxazol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117331917
3-(2-methyl-1,3-benzoxazol-7-yl)-1,2-oxazole-5-carboxylic acid
CID 117361903
3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453435
3-[2-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117411943

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid (CID 117435506) is 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid is CN1CCN(C)c2c(-c3cc(C(=O)O)on3)cccc21.
What is the InChIKey of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is DZPJYMOPHBGIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16-6-7-17(2)13-9(4-3-5-11(13)16)10-8-12(14(18)19)20-15-10/h3-5,8H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid?
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117435506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).