7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C17H18FN5O2 — CID 91960060

IUPAC7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1cccc2c1cnn2CCCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C17H18FN5O2/c1-11-4-2-5-13-12(11)10-20-22(13)7-3-6-19-16(24)15-14(18)17-23(21-15)8-9-25-17/h2,4-5,10H,3,6-9H2,1H3,(H,19,24)
InChIKeyJXCUTZPJXSZRKA-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.89
Rot. Bonds5

About 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960060) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960060
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1cccc2c1cnn2CCCNC(=O)c1nn2c(c1F)OCC2
InChIInChI=1S/C17H18FN5O2/c1-11-4-2-5-13-12(11)10-20-22(13)7-3-6-19-16(24)15-14(18)17-23(21-15)8-9-25-17/h2,4-5,10H,3,6-9H2,1H3,(H,19,24)
InChIKeyJXCUTZPJXSZRKA-UHFFFAOYSA-N
XLogP1.89
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.89
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-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959914
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
CID 91952225
N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 56731656
3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56686282
1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 91955643
N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide
CID 95753651
3-chloro-N-(3-indol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959575
N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
CID 56731683
3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947424
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
CID 95744356
N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide
CID 91959219

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960060) is 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is Cc1cccc2c1cnn2CCCNC(=O)c1nn2c(c1F)OCC2.
What is the InChIKey of 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is JXCUTZPJXSZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-11-4-2-5-13-12(11)10-20-22(13)7-3-6-19-16(24)15-14(18)17-23(21-15)8-9-25-17/h2,4-5,10H,3,6-9H2,1H3,(H,19,24).
What are the key properties of 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).