N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

C18H24N4O3 — CID 121098803

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CC(c3nc(C(C)C)no3)C2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)16-20-17(25-21-16)14-10-22(11-14)18(23)19-9-8-13-4-6-15(24-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)
InChIKeyJKLSYFMTUXCBNA-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (PubChem CID 121098803) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
PubChem CID121098803
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CC(c3nc(C(C)C)no3)C2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)16-20-17(25-21-16)14-10-22(11-14)18(23)19-9-8-13-4-6-15(24-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)
InChIKeyJKLSYFMTUXCBNA-UHFFFAOYSA-N
XLogP2.55
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
N-tert-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098775
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
N-cyclohexyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098776
N-(2-fluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098819
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 56878321
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121093224

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (CID 121098803) is N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is COc1ccc(CCNC(=O)N2CC(c3nc(C(C)C)no3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The InChIKey is JKLSYFMTUXCBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)16-20-17(25-21-16)14-10-22(11-14)18(23)19-9-8-13-4-6-15(24-3)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121098803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).