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

C15H17FN4O3 — CID 120893632

IUPACN-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(COc2cccc(F)c2)no1)C1CCCN1
InChIInChI=1S/C15H17FN4O3/c16-10-3-1-4-11(7-10)22-9-13-19-14(23-20-13)8-18-15(21)12-5-2-6-17-12/h1,3-4,7,12,17H,2,5-6,8-9H2,(H,18,21)
InChIKeyBIGPDSQSGZSXKY-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.16
Rot. Bonds6

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

N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120893632) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120893632
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC NameN-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(COc2cccc(F)c2)no1)C1CCCN1
InChIInChI=1S/C15H17FN4O3/c16-10-3-1-4-11(7-10)22-9-13-19-14(23-20-13)8-18-15(21)12-5-2-6-17-12/h1,3-4,7,12,17H,2,5-6,8-9H2,(H,18,21)
InChIKeyBIGPDSQSGZSXKY-UHFFFAOYSA-N
XLogP1.16
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836353
1-cyclopropyl-N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 120893699
N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120838595
(2S)-2-amino-N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120893766
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836094
5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893749
2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-prop-2-ynylacetamide
CID 100644076
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837950
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119323633
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 120893632) is N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1nc(COc2cccc(F)c2)no1)C1CCCN1.
What is the InChIKey of N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BIGPDSQSGZSXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c16-10-3-1-4-11(7-10)22-9-13-19-14(23-20-13)8-18-15(21)12-5-2-6-17-12/h1,3-4,7,12,17H,2,5-6,8-9H2,(H,18,21).
What are the key properties of N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120893632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).