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

C19H18F2N4O3 — CID 46487083

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccccn2)no1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H18F2N4O3/c1-12(13-5-4-6-14(11-13)27-19(20)21)23-16(26)8-9-17-24-18(25-28-17)15-7-2-3-10-22-15/h2-7,10-12,19H,8-9H2,1H3,(H,23,26)
InChIKeyTXQCOLYVUUBKLJ-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.54
Rot. Bonds8

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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46487083) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46487083
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccccn2)no1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H18F2N4O3/c1-12(13-5-4-6-14(11-13)27-19(20)21)23-16(26)8-9-17-24-18(25-28-17)15-7-2-3-10-22-15/h2-7,10-12,19H,8-9H2,1H3,(H,23,26)
InChIKeyTXQCOLYVUUBKLJ-UHFFFAOYSA-N
XLogP3.54
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55901614
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 93072769
N-[1-(2-methoxyphenyl)propyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46432396
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 46487083) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(NC(=O)CCc1nc(-c2ccccn2)no1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is TXQCOLYVUUBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-12(13-5-4-6-14(11-13)27-19(20)21)23-16(26)8-9-17-24-18(25-28-17)15-7-2-3-10-22-15/h2-7,10-12,19H,8-9H2,1H3,(H,23,26).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 388.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46487083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).