N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide

C14H15FN4O2 — CID 155950245

IUPACN-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)no1)N1CCCC1
InChIInChI=1S/C14H15FN4O2/c15-11-5-3-4-10(8-11)13-17-12(21-18-13)9-16-14(20)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9H2,(H,16,20)
InChIKeyKTMPRCNDIKBWDZ-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.18
Rot. Bonds3

About N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide

N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 155950245) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID155950245
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)no1)N1CCCC1
InChIInChI=1S/C14H15FN4O2/c15-11-5-3-4-10(8-11)13-17-12(21-18-13)9-16-14(20)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9H2,(H,16,20)
InChIKeyKTMPRCNDIKBWDZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012217
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 124888924
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095690
N-[(4-fluorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71821682
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 154805152
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxyethyl)thiourea
CID 134354924
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
N-ethyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018874

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide (CID 155950245) is N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1nc(-c2cccc(F)c2)no1)N1CCCC1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is KTMPRCNDIKBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-11-5-3-4-10(8-11)13-17-12(21-18-13)9-16-14(20)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9H2,(H,16,20).
What are the key properties of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155950245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).