[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol

C16H17N3O2 — CID 10401565

IUPAC[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol
SMILESCC1(C)COC(c2ccnnc2C(O)c2ccccc2)=N1
InChIInChI=1S/C16H17N3O2/c1-16(2)10-21-15(18-16)12-8-9-17-19-13(12)14(20)11-6-4-3-5-7-11/h3-9,14,20H,10H2,1-2H3
InChIKeyBQBQYLPHZOMMNM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.11
Rot. Bonds3

About [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol

[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol (PubChem CID 10401565) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol
PubChem CID10401565
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol
SMILESCC1(C)COC(c2ccnnc2C(O)c2ccccc2)=N1
InChIInChI=1S/C16H17N3O2/c1-16(2)10-21-15(18-16)12-8-9-17-19-13(12)14(20)11-6-4-3-5-7-11/h3-9,14,20H,10H2,1-2H3
InChIKeyBQBQYLPHZOMMNM-UHFFFAOYSA-N
XLogP2.11
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol
CID 134114249
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645
2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 159403755
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole
CID 11810281
(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine
CID 10681570
1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol
CID 19781583
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylprop-2-en-1-ol
CID 101346509

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol?
The IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol (CID 10401565) is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol.
What is the SMILES notation for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol?
The canonical SMILES for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol is CC1(C)COC(c2ccnnc2C(O)c2ccccc2)=N1.
What is the InChIKey of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol?
The InChIKey is BQBQYLPHZOMMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2)10-21-15(18-16)12-8-9-17-19-13(12)14(20)11-6-4-3-5-7-11/h3-9,14,20H,10H2,1-2H3.
What are the key properties of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol?
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol has a molecular weight of 283.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol is sourced from PubChem (CID 10401565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).