3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid

C14H13N3O3 — CID 117430746

IUPAC3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN=C1c1ccc(-c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C14H13N3O3/c1-17-7-6-15-13(17)10-4-2-9(3-5-10)11-8-12(14(18)19)20-16-11/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyFOUJKMSXOWVWRZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.73
Rot. Bonds3

About 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117430746) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117430746
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN=C1c1ccc(-c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C14H13N3O3/c1-17-7-6-15-13(17)10-4-2-9(3-5-10)11-8-12(14(18)19)20-16-11/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeyFOUJKMSXOWVWRZ-UHFFFAOYSA-N
XLogP1.73
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxy-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 68866528
3-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461861
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 55035014
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117459623
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899
3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453436
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117430746) is 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid is CN1CCN=C1c1ccc(-c2cc(C(=O)O)on2)cc1.
What is the InChIKey of 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FOUJKMSXOWVWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-7-6-15-13(17)10-4-2-9(3-5-10)11-8-12(14(18)19)20-16-11/h2-5,8H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117430746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).