N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline

C17H20N4O — CID 126779130

IUPACN,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline
SMILESCc1cccc(N(C)Cc2cc(-c3cnn(C)c3)no2)c1C
InChIInChI=1S/C17H20N4O/c1-12-6-5-7-17(13(12)2)20(3)11-15-8-16(19-22-15)14-9-18-21(4)10-14/h5-10H,11H2,1-4H3
InChIKeyKNGMXLNAWNCMAX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds4

About N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline

N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline (PubChem CID 126779130) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline
PubChem CID126779130
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline
SMILESCc1cccc(N(C)Cc2cc(-c3cnn(C)c3)no2)c1C
InChIInChI=1S/C17H20N4O/c1-12-6-5-7-17(13(12)2)20(3)11-15-8-16(19-22-15)14-9-18-21(4)10-14/h5-10H,11H2,1-4H3
InChIKeyKNGMXLNAWNCMAX-UHFFFAOYSA-N
XLogP3.33
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
CID 57422294
(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
CID 57422315
N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622850
2-(4-methylpyrazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 53624511
(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
1-[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]-N-(5-isoxazolylmethyl)-N-methylmethanamine
CID 42380521
3-Ethyl-5-(1-{[3-(4-ethylphenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-1,2-oxazole
CID 53009625
3-Methyl-5-{1-[(3-phenyl-1H-pyrazol-4-YL)methyl]pyrrolidin-2-YL}-1,2-oxazole
CID 53034963
3-Ethyl-5-(1-{[3-(4-methylphenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-1,2-oxazole
CID 53034995
5-{1-[(3-Phenyl-1H-pyrazol-4-YL)methyl]pyrrolidin-2-YL}-3-(propan-2-YL)-1,2-oxazole
CID 53035024
3-(1-Phenylpyrazol-4-yl)-1,2-oxazole
CID 114763655
1-[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]methanamine
CID 42415248

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline?
The IUPAC name of N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline (CID 126779130) is N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline.
What is the SMILES notation for N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline?
The canonical SMILES for N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline is Cc1cccc(N(C)Cc2cc(-c3cnn(C)c3)no2)c1C.
What is the InChIKey of N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline?
The InChIKey is KNGMXLNAWNCMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-6-5-7-17(13(12)2)20(3)11-15-8-16(19-22-15)14-9-18-21(4)10-14/h5-10H,11H2,1-4H3.
What are the key properties of N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline?
N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline has a molecular weight of 296.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline is sourced from PubChem (CID 126779130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).