N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane

C22H31N5O2 — CID 177247513

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane
SMILESCC.CCc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc(NC)c1N(C)C=O
InChIInChI=1S/C20H25N5O2.C2H6/c1-7-16-19(11(2)22-23-16)15-8-14(18-12(3)24-27-13(18)4)9-17(21-5)20(15)25(6)10-26;1-2/h8-10,21H,7H2,1-6H3,(H,22,23);1-2H3
InChIKeyAASPNVKOBHWMBJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.88
Rot. Bonds6

About N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane (PubChem CID 177247513) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane
PubChem CID177247513
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane
SMILESCC.CCc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc(NC)c1N(C)C=O
InChIInChI=1S/C20H25N5O2.C2H6/c1-7-16-19(11(2)22-23-16)15-8-14(18-12(3)24-27-13(18)4)9-17(21-5)20(15)25(6)10-26;1-2/h8-10,21H,7H2,1-6H3,(H,22,23);1-2H3
InChIKeyAASPNVKOBHWMBJ-UHFFFAOYSA-N
XLogP4.88
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 158256701
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol
CID 144547403
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carbaldehyde
CID 21220942
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
2-bromo-4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-6-nitroaniline
CID 121355017
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one
CID 121379049
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane (CID 177247513) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane is CC.CCc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc(NC)c1N(C)C=O.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane?
The InChIKey is AASPNVKOBHWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.C2H6/c1-7-16-19(11(2)22-23-16)15-8-14(18-12(3)24-27-13(18)4)9-17(21-5)20(15)25(6)10-26;1-2/h8-10,21H,7H2,1-6H3,(H,22,23);1-2H3.
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane has a molecular weight of 397.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane is sourced from PubChem (CID 177247513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).