1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

C15H19FN6O2 — CID 120751537

IUPAC1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESNCc1nc(CN2CCC(NC(=O)Nc3ccc(F)cc3)C2)no1
InChIInChI=1S/C15H19FN6O2/c16-10-1-3-11(4-2-10)18-15(23)19-12-5-6-22(8-12)9-13-20-14(7-17)24-21-13/h1-4,12H,5-9,17H2,(H2,18,19,23)
InChIKeyJCVPEIIMLDRWBJ-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.06
Rot. Bonds5

About 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 120751537) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID120751537
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESNCc1nc(CN2CCC(NC(=O)Nc3ccc(F)cc3)C2)no1
InChIInChI=1S/C15H19FN6O2/c16-10-1-3-11(4-2-10)18-15(23)19-12-5-6-22(8-12)9-13-20-14(7-17)24-21-13/h1-4,12H,5-9,17H2,(H2,18,19,23)
InChIKeyJCVPEIIMLDRWBJ-UHFFFAOYSA-N
XLogP1.06
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea with MolForge

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Related Compounds

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 120751655
1-[2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-(4-fluorophenyl)urea
CID 120751849
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-[(3R)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100839495
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 75515961
1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 95296194
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride
CID 120899475
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (CID 120751537) is 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is NCc1nc(CN2CCC(NC(=O)Nc3ccc(F)cc3)C2)no1.
What is the InChIKey of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is JCVPEIIMLDRWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c16-10-1-3-11(4-2-10)18-15(23)19-12-5-6-22(8-12)9-13-20-14(7-17)24-21-13/h1-4,12H,5-9,17H2,(H2,18,19,23).
What are the key properties of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 334.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 120751537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).