3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide

C16H21N3O3 — CID 154785667

IUPAC3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCc1noc(C(=O)NCC(C)COCc2ccccc2)n1
InChIInChI=1S/C16H21N3O3/c1-3-14-18-16(22-19-14)15(20)17-9-12(2)10-21-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,20)
InChIKeySYNSEAHRSDZJSY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.21
Rot. Bonds8

About 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide

3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 154785667) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID154785667
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCc1noc(C(=O)NCC(C)COCc2ccccc2)n1
InChIInChI=1S/C16H21N3O3/c1-3-14-18-16(22-19-14)15(20)17-9-12(2)10-21-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,20)
InChIKeySYNSEAHRSDZJSY-UHFFFAOYSA-N
XLogP2.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
CID 119304384
5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
CID 120625790
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
2-hydroxy-N-(2-methyl-3-phenylmethoxypropyl)cyclopentane-1-carboxamide
CID 110015433
3-[(2-methyl-3-phenylmethoxypropyl)carbamoyl]-5-nitrobenzoic acid
CID 119182962
3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 75269878
(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471121
5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471083
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 109431766
2-methyl-1-(2-methyl-3-phenylmethoxypropyl)-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178273

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide (CID 154785667) is 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide is CCc1noc(C(=O)NCC(C)COCc2ccccc2)n1.
What is the InChIKey of 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SYNSEAHRSDZJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-14-18-16(22-19-14)15(20)17-9-12(2)10-21-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,20).
What are the key properties of 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 154785667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).