4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid

C16H12N2O4S — CID 141444324

IUPAC4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
SMILESCOC1Oc2ccccc2-n2c(-c3cccs3)nc(C(=O)O)c21
InChIInChI=1S/C16H12N2O4S/c1-21-16-13-12(15(19)20)17-14(11-7-4-8-23-11)18(13)9-5-2-3-6-10(9)22-16/h2-8,16H,1H3,(H,19,20)
InChIKeySEPMUXDVNVXRBG-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.34
Rot. Bonds3

About 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid

4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid (PubChem CID 141444324) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
PubChem CID141444324
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
SMILESCOC1Oc2ccccc2-n2c(-c3cccs3)nc(C(=O)O)c21
InChIInChI=1S/C16H12N2O4S/c1-21-16-13-12(15(19)20)17-14(11-7-4-8-23-11)18(13)9-5-2-3-6-10(9)22-16/h2-8,16H,1H3,(H,19,20)
InChIKeySEPMUXDVNVXRBG-UHFFFAOYSA-N
XLogP3.34
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252334
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744734
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51065302
5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid;methyl 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylate
CID 159744997
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
5-(3,4-dimethylphenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 28547704
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40975231
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 31985102
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The IUPAC name of 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid (CID 141444324) is 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The canonical SMILES for 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid is COC1Oc2ccccc2-n2c(-c3cccs3)nc(C(=O)O)c21.
What is the InChIKey of 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The InChIKey is SEPMUXDVNVXRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-21-16-13-12(15(19)20)17-14(11-7-4-8-23-11)18(13)9-5-2-3-6-10(9)22-16/h2-8,16H,1H3,(H,19,20).
What are the key properties of 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid has a molecular weight of 328.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid is sourced from PubChem (CID 141444324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).