4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole

C14H14N4O — CID 175216968

IUPAC4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3ncncn3)cc2)=N1
InChIInChI=1S/C14H14N4O/c1-14(2)7-19-13(18-14)11-5-3-10(4-6-11)12-16-8-15-9-17-12/h3-6,8-9H,7H2,1-2H3
InChIKeyXANBFPIDENXGOU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.09
Rot. Bonds2

About 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole

4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole (PubChem CID 175216968) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole
PubChem CID175216968
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3ncncn3)cc2)=N1
InChIInChI=1S/C14H14N4O/c1-14(2)7-19-13(18-14)11-5-3-10(4-6-11)12-16-8-15-9-17-12/h3-6,8-9H,7H2,1-2H3
InChIKeyXANBFPIDENXGOU-UHFFFAOYSA-N
XLogP2.09
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
tetrakis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]boranuide
CID 53355034
[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol
CID 21464223
2-(3,4-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 12872558
2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 139818204
2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250689
2-(4-bromo-2-deuteriophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 122212430
1-(diaminomethylidene)-2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]guanidine
CID 168604810
4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]cyclohexan-1-one
CID 22633616
4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol
CID 68969689
2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 122386748
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
CID 12867078

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole (CID 175216968) is 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3ncncn3)cc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole?
The InChIKey is XANBFPIDENXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-14(2)7-19-13(18-14)11-5-3-10(4-6-11)12-16-8-15-9-17-12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole has a molecular weight of 254.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 175216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).