3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid

C15H15N3O3 — CID 117459342

IUPAC3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1nc2cc(-c3cc(C(=O)O)on3)ccc2n1C(C)C
InChIInChI=1S/C15H15N3O3/c1-8(2)18-9(3)16-12-6-10(4-5-13(12)18)11-7-14(15(19)20)21-17-11/h4-8H,1-3H3,(H,19,20)
InChIKeyDPHKPECINYHNLZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.28
Rot. Bonds3

About 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid

3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117459342) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID117459342
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1nc2cc(-c3cc(C(=O)O)on3)ccc2n1C(C)C
InChIInChI=1S/C15H15N3O3/c1-8(2)18-9(3)16-12-6-10(4-5-13(12)18)11-7-14(15(19)20)21-17-11/h4-8H,1-3H3,(H,19,20)
InChIKeyDPHKPECINYHNLZ-UHFFFAOYSA-N
XLogP3.28
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117433603
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899
3-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117465769
3-(4-fluoro-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375400
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-4-oxobutanoic acid
CID 82502143
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117498694
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid (CID 117459342) is 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid is Cc1nc2cc(-c3cc(C(=O)O)on3)ccc2n1C(C)C.
What is the InChIKey of 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is DPHKPECINYHNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8(2)18-9(3)16-12-6-10(4-5-13(12)18)11-7-14(15(19)20)21-17-11/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117459342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).