7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C14H19N5O2 — CID 91959914

IUPAC7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(=O)NCCCn2ccnc2C)nn2c1OCC2
InChIInChI=1S/C14H19N5O2/c1-10-12(17-19-8-9-21-14(10)19)13(20)16-4-3-6-18-7-5-15-11(18)2/h5,7H,3-4,6,8-9H2,1-2H3,(H,16,20)
InChIKeyQHJXYAGJFDEATH-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.91
Rot. Bonds5

About 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91959914) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91959914
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(=O)NCCCn2ccnc2C)nn2c1OCC2
InChIInChI=1S/C14H19N5O2/c1-10-12(17-19-8-9-21-14(10)19)13(20)16-4-3-6-18-7-5-15-11(18)2/h5,7H,3-4,6,8-9H2,1-2H3,(H,16,20)
InChIKeyQHJXYAGJFDEATH-UHFFFAOYSA-N
XLogP0.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959910
7-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959930
2-bromo-N-[3-(2-methylimidazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55959113
1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 71868078
7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960060
3-chloro-N-(3-indol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959575
7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960046
1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-3-ylmethyl)urea
CID 71990464
1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea
CID 118398328
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
CID 120647272
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91959914) is 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is Cc1c(C(=O)NCCCn2ccnc2C)nn2c1OCC2.
What is the InChIKey of 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is QHJXYAGJFDEATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-12(17-19-8-9-21-14(10)19)13(20)16-4-3-6-18-7-5-15-11(18)2/h5,7H,3-4,6,8-9H2,1-2H3,(H,16,20).
What are the key properties of 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91959914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).