3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole

C13H15N5O — CID 174731060

IUPAC3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cn(-c2cnn(Cc3c(C)noc3C)c2)cn1
InChIInChI=1S/C13H15N5O/c1-9-5-17(8-14-9)12-4-15-18(6-12)7-13-10(2)16-19-11(13)3/h4-6,8H,7H2,1-3H3
InChIKeyRHOGWBVJCGBWER-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.03
Rot. Bonds3

About 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 174731060) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID174731060
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cn(-c2cnn(Cc3c(C)noc3C)c2)cn1
InChIInChI=1S/C13H15N5O/c1-9-5-17(8-14-9)12-4-15-18(6-12)7-13-10(2)16-19-11(13)3/h4-6,8H,7H2,1-3H3
InChIKeyRHOGWBVJCGBWER-UHFFFAOYSA-N
XLogP2.03
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole (CID 174731060) is 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole is Cc1cn(-c2cnn(Cc3c(C)noc3C)c2)cn1.
What is the InChIKey of 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is RHOGWBVJCGBWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-5-17(8-14-9)12-4-15-18(6-12)7-13-10(2)16-19-11(13)3/h4-6,8H,7H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 257.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-(4-methylimidazol-1-yl)pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 174731060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).