3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C15H17N3O4 — CID 95049494

IUPAC3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H17N3O4/c1-9(15-17-10(2)18-22-15)16-14(19)6-4-11-3-5-12-13(7-11)21-8-20-12/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,19)/t9-/m1/s1
InChIKeyCLTMKGOOWRKDLO-SECBINFHSA-N
MW303.32 g/mol
LogP1.92
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 95049494) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID95049494
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H17N3O4/c1-9(15-17-10(2)18-22-15)16-14(19)6-4-11-3-5-12-13(7-11)21-8-20-12/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,19)/t9-/m1/s1
InChIKeyCLTMKGOOWRKDLO-SECBINFHSA-N
XLogP1.92
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60930540
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 99132994
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 99132993
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 42925146
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide
CID 18143648
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 75420030
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99132998
3-(1,3-benzodioxol-5-yl)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]propanamide
CID 42948379

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 95049494) is 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is Cc1noc([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is CLTMKGOOWRKDLO-SECBINFHSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9(15-17-10(2)18-22-15)16-14(19)6-4-11-3-5-12-13(7-11)21-8-20-12/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,19)/t9-/m1/s1.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 303.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 95049494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).