4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole

C20H24N4O3 — CID 56744602

IUPAC4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(OC)c(-c2nc(Cn3cnc(C4CCCC4)n3)c(C)o2)c1
InChIInChI=1S/C20H24N4O3/c1-13-17(11-24-12-21-19(23-24)14-6-4-5-7-14)22-20(27-13)16-10-15(25-2)8-9-18(16)26-3/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyTUJYVWIFCJRRTB-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.96
Rot. Bonds6

About 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole

4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 56744602) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID56744602
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(OC)c(-c2nc(Cn3cnc(C4CCCC4)n3)c(C)o2)c1
InChIInChI=1S/C20H24N4O3/c1-13-17(11-24-12-21-19(23-24)14-6-4-5-7-14)22-20(27-13)16-10-15(25-2)8-9-18(16)26-3/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyTUJYVWIFCJRRTB-UHFFFAOYSA-N
XLogP3.96
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole with MolForge

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Related Compounds

1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carbonitrile
CID 56865325
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
CID 154893005
2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42304580
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-oxazole
CID 56750354
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56741138
methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25279437

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole (CID 56744602) is 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(OC)c(-c2nc(Cn3cnc(C4CCCC4)n3)c(C)o2)c1.
What is the InChIKey of 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is TUJYVWIFCJRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-17(11-24-12-21-19(23-24)14-6-4-5-7-14)22-20(27-13)16-10-15(25-2)8-9-18(16)26-3/h8-10,12,14H,4-7,11H2,1-3H3.
What are the key properties of 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole?
4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 368.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 56744602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).