(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C16H16N4O3S — CID 95874393

IUPAC(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CN1CCc2[nH]cnc2[C@@H]1C(=O)O
InChIInChI=1S/C16H16N4O3S/c1-9-11(19-15(23-9)12-3-2-6-24-12)7-20-5-4-10-13(18-8-17-10)14(20)16(21)22/h2-3,6,8,14H,4-5,7H2,1H3,(H,17,18)(H,21,22)/t14-/m1/s1
InChIKeyOXUAOUCTPYLEHK-CQSZACIVSA-N
MW344.40 g/mol
LogP2.62
Rot. Bonds4

About (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95874393) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95874393
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CN1CCc2[nH]cnc2[C@@H]1C(=O)O
InChIInChI=1S/C16H16N4O3S/c1-9-11(19-15(23-9)12-3-2-6-24-12)7-20-5-4-10-13(18-8-17-10)14(20)16(21)22/h2-3,6,8,14H,4-5,7H2,1H3,(H,17,18)(H,21,22)/t14-/m1/s1
InChIKeyOXUAOUCTPYLEHK-CQSZACIVSA-N
XLogP2.62
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62014930
[3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788849
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202
4-[(2,5-dimethylpiperazin-1-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 64980669
5-methyl-2-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238949
5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238946
2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 60834843
5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70764292
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
1-[(4aR,8aR)-4a-(hydroxymethyl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]ethanone
CID 165428888
methyl (2R)-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69170817

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95874393) is (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is Cc1oc(-c2cccs2)nc1CN1CCc2[nH]cnc2[C@@H]1C(=O)O.
What is the InChIKey of (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is OXUAOUCTPYLEHK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-9-11(19-15(23-9)12-3-2-6-24-12)7-20-5-4-10-13(18-8-17-10)14(20)16(21)22/h2-3,6,8,14H,4-5,7H2,1H3,(H,17,18)(H,21,22)/t14-/m1/s1.
What are the key properties of (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 344.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95874393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).