2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol

C18H22N4O2 — CID 167870423

IUPAC2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(CO)NCc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C18H22N4O2/c1-12-6-4-5-7-15(12)18(11-23)19-9-14-8-17(21-24-14)16-10-20-22(3)13(16)2/h4-8,10,18-19,23H,9,11H2,1-3H3
InChIKeyYCUIVERZVAZXAI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.52
Rot. Bonds6

About 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol

2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol (PubChem CID 167870423) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol
PubChem CID167870423
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(CO)NCc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C18H22N4O2/c1-12-6-4-5-7-15(12)18(11-23)19-9-14-8-17(21-24-14)16-10-20-22(3)13(16)2/h4-8,10,18-19,23H,9,11H2,1-3H3
InChIKeyYCUIVERZVAZXAI-UHFFFAOYSA-N
XLogP2.52
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline
CID 126774432
3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide
CID 126773855
N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine
CID 167960060
2-(2,2-difluoroethoxy)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-4-fluoroaniline
CID 126774313
(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
CID 103851995
3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole
CID 99839244
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine
CID 99782963
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 99822044
3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide
CID 46971958
2-(1,5-dimethylpyrazol-4-yl)aniline
CID 66096169

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol?
The IUPAC name of 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol (CID 167870423) is 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol is Cc1ccccc1C(CO)NCc1cc(-c2cnn(C)c2C)no1.
What is the InChIKey of 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol?
The InChIKey is YCUIVERZVAZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-6-4-5-7-15(12)18(11-23)19-9-14-8-17(21-24-14)16-10-20-22(3)13(16)2/h4-8,10,18-19,23H,9,11H2,1-3H3.
What are the key properties of 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol?
2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol has a molecular weight of 326.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 167870423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).