3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide

C19H23N5O2 — CID 126773855

IUPAC3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C19H23N5O2/c1-12-6-7-14(19(25)23(3)4)8-17(12)20-10-15-9-18(22-26-15)16-11-21-24(5)13(16)2/h6-9,11,20H,10H2,1-5H3
InChIKeyZRZKFXKIJDJEIJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.01
Rot. Bonds5

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

3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide (PubChem CID 126773855) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide
PubChem CID126773855
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C19H23N5O2/c1-12-6-7-14(19(25)23(3)4)8-17(12)20-10-15-9-18(22-26-15)16-11-21-24(5)13(16)2/h6-9,11,20H,10H2,1-5H3
InChIKeyZRZKFXKIJDJEIJ-UHFFFAOYSA-N
XLogP3.01
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
CID 79569576
N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline
CID 126774432
N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399583
2-(2,2-difluoroethoxy)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-4-fluoroaniline
CID 126774313
6-chloro-8-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-4H-1,4-benzoxazin-3-one
CID 126808450
2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol
CID 167870423
3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole
CID 99839244
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]tricyclo[2.2.1.02,6]heptan-3-amine
CID 167960060
4-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624653
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide (CID 126773855) is 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1NCc1cc(-c2cnn(C)c2C)no1.
What is the InChIKey of 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide?
The InChIKey is ZRZKFXKIJDJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-6-7-14(19(25)23(3)4)8-17(12)20-10-15-9-18(22-26-15)16-11-21-24(5)13(16)2/h6-9,11,20H,10H2,1-5H3.
What are the key properties of 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide?
3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide has a molecular weight of 353.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 126773855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).