2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol

C16H19N5O3 — CID 110928800

IUPAC2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol
SMILESCc1nc(COc2ccc(CNc3cnn(CCO)c3)cc2)no1
InChIInChI=1S/C16H19N5O3/c1-12-19-16(20-24-12)11-23-15-4-2-13(3-5-15)8-17-14-9-18-21(10-14)6-7-22/h2-5,9-10,17,22H,6-8,11H2,1H3
InChIKeyZVWLMMKOSDAREX-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.76
Rot. Bonds8

About 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol

2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928800) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol
PubChem CID110928800
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol
SMILESCc1nc(COc2ccc(CNc3cnn(CCO)c3)cc2)no1
InChIInChI=1S/C16H19N5O3/c1-12-19-16(20-24-12)11-23-15-4-2-13(3-5-15)8-17-14-9-18-21(10-14)6-7-22/h2-5,9-10,17,22H,6-8,11H2,1H3
InChIKeyZVWLMMKOSDAREX-UHFFFAOYSA-N
XLogP1.76
TPSA98.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
N-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-1H-indazol-5-amine
CID 75389930
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928974
2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol
CID 111470477
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-amine
CID 107911742
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol (CID 110928800) is 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol is Cc1nc(COc2ccc(CNc3cnn(CCO)c3)cc2)no1.
What is the InChIKey of 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol?
The InChIKey is ZVWLMMKOSDAREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-12-19-16(20-24-12)11-23-15-4-2-13(3-5-15)8-17-14-9-18-21(10-14)6-7-22/h2-5,9-10,17,22H,6-8,11H2,1H3.
What are the key properties of 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol?
2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol has a molecular weight of 329.36 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).