4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole

C16H17N3O2 — CID 56675986

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2nc(Cn3nc(C)cc3C)co2)c1
InChIInChI=1S/C16H17N3O2/c1-11-7-12(2)19(18-11)9-14-10-21-16(17-14)13-5-4-6-15(8-13)20-3/h4-8,10H,9H2,1-3H3
InChIKeyUYAPBAPGSQFKEE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.21
Rot. Bonds4

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole

4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole (PubChem CID 56675986) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole
PubChem CID56675986
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2nc(Cn3nc(C)cc3C)co2)c1
InChIInChI=1S/C16H17N3O2/c1-11-7-12(2)19(18-11)9-14-10-21-16(17-14)13-5-4-6-15(8-13)20-3/h4-8,10H,9H2,1-3H3
InChIKeyUYAPBAPGSQFKEE-UHFFFAOYSA-N
XLogP3.21
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole (CID 56675986) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole is COc1cccc(-c2nc(Cn3nc(C)cc3C)co2)c1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is UYAPBAPGSQFKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-7-12(2)19(18-11)9-14-10-21-16(17-14)13-5-4-6-15(8-13)20-3/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole has a molecular weight of 283.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56675986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).