4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol

C16H16N4O2 — CID 138567264

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol
SMILES[H]/N=C/c1c(-c2c(C)noc2C)c(-c2ccc(O)cc2)nn1C
InChIInChI=1S/C16H16N4O2/c1-9-14(10(2)22-19-9)15-13(8-17)20(3)18-16(15)11-4-6-12(21)7-5-11/h4-8,17,21H,1-3H3/b17-8+
InChIKeyOETBXLKSUGEKAL-CAOOACKPSA-N
MW296.33 g/mol
LogP3.06
Rot. Bonds3

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol (PubChem CID 138567264) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol
PubChem CID138567264
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol
SMILES[H]/N=C/c1c(-c2c(C)noc2C)c(-c2ccc(O)cc2)nn1C
InChIInChI=1S/C16H16N4O2/c1-9-14(10(2)22-19-9)15-13(8-17)20(3)18-16(15)11-4-6-12(21)7-5-11/h4-8,17,21H,1-3H3/b17-8+
InChIKeyOETBXLKSUGEKAL-CAOOACKPSA-N
XLogP3.06
TPSA87.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol (CID 138567264) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol is [H]/N=C/c1c(-c2c(C)noc2C)c(-c2ccc(O)cc2)nn1C.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol?
The InChIKey is OETBXLKSUGEKAL-CAOOACKPSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-14(10(2)22-19-9)15-13(8-17)20(3)18-16(15)11-4-6-12(21)7-5-11/h4-8,17,21H,1-3H3/b17-8+.
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol has a molecular weight of 296.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methanimidoyl-1-methylpyrazol-3-yl]phenol is sourced from PubChem (CID 138567264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).