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

C15H17F2N3O3 — CID 87001177

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NC(C)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C15H17F2N3O3/c1-9(11-4-3-5-12(8-11)22-15(16)17)18-13(21)6-7-14-19-10(2)20-23-14/h3-5,8-9,15H,6-7H2,1-2H3,(H,18,21)
InChIKeyPWUPNGJBELQHBV-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.79
Rot. Bonds7

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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 87001177) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID87001177
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NC(C)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C15H17F2N3O3/c1-9(11-4-3-5-12(8-11)22-15(16)17)18-13(21)6-7-14-19-10(2)20-23-14/h3-5,8-9,15H,6-7H2,1-2H3,(H,18,21)
InChIKeyPWUPNGJBELQHBV-UHFFFAOYSA-N
XLogP2.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46477015
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46487083
1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014859
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 95325838
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1-phenylpropyl)propanamide
CID 86917615
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
CID 96567500
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51729577
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 87001177) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)NC(C)c2cccc(OC(F)F)c2)n1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PWUPNGJBELQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-9(11-4-3-5-12(8-11)22-15(16)17)18-13(21)6-7-14-19-10(2)20-23-14/h3-5,8-9,15H,6-7H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 325.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 87001177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).