3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide

C17H21N3O3 — CID 51079044

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCC3CCOC3)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-2-4-14(5-3-12)17-19-16(23-20-17)7-6-15(21)18-10-13-8-9-22-11-13/h2-5,13H,6-11H2,1H3,(H,18,21)
InChIKeyPNHQOHGAYXHVJO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.13
Rot. Bonds6

About 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 51079044) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
PubChem CID51079044
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCC3CCOC3)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-2-4-14(5-3-12)17-19-16(23-20-17)7-6-15(21)18-10-13-8-9-22-11-13/h2-5,13H,6-11H2,1H3,(H,18,21)
InChIKeyPNHQOHGAYXHVJO-UHFFFAOYSA-N
XLogP2.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 51082586
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 8964239
N-[[(4S)-1,3-dioxan-4-yl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 97000305
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133209749
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 100763862
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 3242260
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 28689919
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 2227018
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 100759222
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126429340

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide (CID 51079044) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide is Cc1ccc(-c2noc(CCC(=O)NCC3CCOC3)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is PNHQOHGAYXHVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-2-4-14(5-3-12)17-19-16(23-20-17)7-6-15(21)18-10-13-8-9-22-11-13/h2-5,13H,6-11H2,1H3,(H,18,21).
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 51079044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).