5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol

C18H15N3O2 — CID 3493364

IUPAC5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cccc4nc(C)oc34)n[nH]2)c(O)c1
InChIInChI=1S/C18H15N3O2/c1-10-6-7-12(17(22)8-10)15-9-16(21-20-15)13-4-3-5-14-18(13)23-11(2)19-14/h3-9,22H,1-2H3,(H,20,21)
InChIKeyVFRLEPAXCDEUOF-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.21
Rot. Bonds2

About 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol

5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol (PubChem CID 3493364) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol
PubChem CID3493364
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cccc4nc(C)oc34)n[nH]2)c(O)c1
InChIInChI=1S/C18H15N3O2/c1-10-6-7-12(17(22)8-10)15-9-16(21-20-15)13-4-3-5-14-18(13)23-11(2)19-14/h3-9,22H,1-2H3,(H,20,21)
InChIKeyVFRLEPAXCDEUOF-UHFFFAOYSA-N
XLogP4.21
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4644144
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CID 31160570
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CID 42514373
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CID 50969207
CID 50969207
CID 70731003
CID 70731003
CID 21956734
CID 21956734
CID 21956751
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CID 54591572
CID 54591572

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol (CID 3493364) is 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol is Cc1ccc(-c2cc(-c3cccc4nc(C)oc34)n[nH]2)c(O)c1.
What is the InChIKey of 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol?
The InChIKey is VFRLEPAXCDEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-10-6-7-12(17(22)8-10)15-9-16(21-20-15)13-4-3-5-14-18(13)23-11(2)19-14/h3-9,22H,1-2H3,(H,20,21).
What are the key properties of 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol?
5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol has a molecular weight of 305.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 3493364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).