2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide

C16H16F2N4O2 — CID 56764467

IUPAC2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CC(c2nc(C3CC3)no2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4O2/c17-11-3-4-13(12(18)5-11)19-14(23)8-22-6-10(7-22)16-20-15(21-24-16)9-1-2-9/h3-5,9-10H,1-2,6-8H2,(H,19,23)
InChIKeyOBEPJXSNHWDDQR-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.26
Rot. Bonds5

About 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 56764467) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID56764467
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CC(c2nc(C3CC3)no2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4O2/c17-11-3-4-13(12(18)5-11)19-14(23)8-22-6-10(7-22)16-20-15(21-24-16)9-1-2-9/h3-5,9-10H,1-2,6-8H2,(H,19,23)
InChIKeyOBEPJXSNHWDDQR-UHFFFAOYSA-N
XLogP2.26
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamide
CID 91809983
N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 6623913
N-(cyclopropylmethyl)-3-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491157
1-(2-((4-fluorophenyl)amino)-2-oxoethyl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-4-carboxamide
CID 45497724
1-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 49722207
N-(2-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 49745143
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 49745159
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53562482
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53574019
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 53591060
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53603769
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 53616372

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 56764467) is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CN1CC(c2nc(C3CC3)no2)C1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is OBEPJXSNHWDDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-11-3-4-13(12(18)5-11)19-14(23)8-22-6-10(7-22)16-20-15(21-24-16)9-1-2-9/h3-5,9-10H,1-2,6-8H2,(H,19,23).
What are the key properties of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 334.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 56764467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).