3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol

C21H19N3O3 — CID 2088964

IUPAC3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1C
InChIInChI=1S/C21H19N3O3/c1-13-18(26-3)10-9-17(20(13)25)21-19(14(2)23-27-21)15-11-22-24(12-15)16-7-5-4-6-8-16/h4-12,25H,1-3H3
InChIKeyFZQUBQAPRRBGKK-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.53
Rot. Bonds4

About 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol

3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol (PubChem CID 2088964) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol
PubChem CID2088964
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol
SMILESCOc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1C
InChIInChI=1S/C21H19N3O3/c1-13-18(26-3)10-9-17(20(13)25)21-19(14(2)23-27-21)15-11-22-24(12-15)16-7-5-4-6-8-16/h4-12,25H,1-3H3
InChIKeyFZQUBQAPRRBGKK-UHFFFAOYSA-N
XLogP4.53
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol (CID 2088964) is 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol is COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1C.
What is the InChIKey of 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol?
The InChIKey is FZQUBQAPRRBGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-18(26-3)10-9-17(20(13)25)21-19(14(2)23-27-21)15-11-22-24(12-15)16-7-5-4-6-8-16/h4-12,25H,1-3H3.
What are the key properties of 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol?
3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol has a molecular weight of 361.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 2088964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).