3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one

C18H19N5O2 — CID 70738523

IUPAC3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one
SMILESCC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)oc(=O)n3C)n[nH]1
InChIInChI=1S/C18H19N5O2/c1-11(2)8-12-9-14(21-20-12)17-19-6-7-23(17)13-4-5-15-16(10-13)25-18(24)22(15)3/h4-7,9-11H,8H2,1-3H3,(H,20,21)
InChIKeySUOZWVCIKHGMHF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.91
Rot. Bonds4

About 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one

3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one (PubChem CID 70738523) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one
PubChem CID70738523
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one
SMILESCC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)oc(=O)n3C)n[nH]1
InChIInChI=1S/C18H19N5O2/c1-11(2)8-12-9-14(21-20-12)17-19-6-7-23(17)13-4-5-15-16(10-13)25-18(24)22(15)3/h4-7,9-11H,8H2,1-3H3,(H,20,21)
InChIKeySUOZWVCIKHGMHF-UHFFFAOYSA-N
XLogP2.91
TPSA81.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 155506882
6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115258422
3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
CID 116883887
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-[2-(aminomethyl)-3-methylbutyl]-3-methyl-1,3-benzoxazol-2-one
CID 116931129
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
6-[amino(1H-imidazol-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116835207
3-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanoic acid
CID 116926796
6-(1-bromo-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62301096
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986
3-methyl-6-(2-pyrimidin-2-ylacetyl)-1,3-benzoxazol-2-one
CID 116833080

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one (CID 70738523) is 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one is CC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)oc(=O)n3C)n[nH]1.
What is the InChIKey of 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one?
The InChIKey is SUOZWVCIKHGMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11(2)8-12-9-14(21-20-12)17-19-6-7-23(17)13-4-5-15-16(10-13)25-18(24)22(15)3/h4-7,9-11H,8H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one?
3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 70738523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).