5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

C16H21N3O3 — CID 119045965

IUPAC5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2noc(CC)n2)c(C)c1
InChIInChI=1S/C16H21N3O3/c1-4-8-21-13-7-6-12(11(3)9-13)10-17-16(20)15-18-14(5-2)22-19-15/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyIFNXGKKMDZKRDM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.66
Rot. Bonds7

About 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 119045965) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID119045965
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2noc(CC)n2)c(C)c1
InChIInChI=1S/C16H21N3O3/c1-4-8-21-13-7-6-12(11(3)9-13)10-17-16(20)15-18-14(5-2)22-19-15/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyIFNXGKKMDZKRDM-UHFFFAOYSA-N
XLogP2.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 119046733
(3S)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-3-phenylpropanamide
CID 124841397
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 119046043
3-(furan-3-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]propanamide
CID 119046393
(7S)-N-[(2-methyl-4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 99794171
1-[(2-methyl-4-propoxyphenyl)methyl]-3-[(4R)-oxepan-4-yl]urea
CID 99833443
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
2-methyl-4-propoxybenzoyl chloride
CID 82631959
(1R,5R)-3-hydroxy-N-[(2-methyl-4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99834426
5-[(2-methyl-4-propoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122056302
(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide
CID 125138664

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 119045965) is 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is CCCOc1ccc(CNC(=O)c2noc(CC)n2)c(C)c1.
What is the InChIKey of 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IFNXGKKMDZKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-8-21-13-7-6-12(11(3)9-13)10-17-16(20)15-18-14(5-2)22-19-15/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,20).
What are the key properties of 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 119045965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).