N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide

C17H20FN5O2 — CID 75505135

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide
SMILESCN(C)C1CN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)C1
InChIInChI=1S/C17H20FN5O2/c1-22(2)12-8-23(9-12)17(24)19-14-6-5-11(18)7-13(14)16-20-15(21-25-16)10-3-4-10/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,19,24)
InChIKeyQTRRFKQXDWYSNE-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.53
Rot. Bonds4

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide (PubChem CID 75505135) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide
PubChem CID75505135
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide
SMILESCN(C)C1CN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)C1
InChIInChI=1S/C17H20FN5O2/c1-22(2)12-8-23(9-12)17(24)19-14-6-5-11(18)7-13(14)16-20-15(21-25-16)10-3-4-10/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,19,24)
InChIKeyQTRRFKQXDWYSNE-UHFFFAOYSA-N
XLogP2.53
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122086081
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111566411
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea
CID 71865767
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153937
3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide
CID 138037566
trans-(1S,2S)-N-[4-fluoro-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 99838258
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 53155552
[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
CID 99757731

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide (CID 75505135) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide is CN(C)C1CN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)C1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide?
The InChIKey is QTRRFKQXDWYSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-22(2)12-8-23(9-12)17(24)19-14-6-5-11(18)7-13(14)16-20-15(21-25-16)10-3-4-10/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide is sourced from PubChem (CID 75505135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).