N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide

C19H18FN3O4 — CID 52513082

IUPACN-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)cc1OC
InChIInChI=1S/C19H18FN3O4/c1-11(19-22-17(23-27-19)12-4-7-14(20)8-5-12)21-18(24)13-6-9-15(25-2)16(10-13)26-3/h4-11H,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeySGILFCYCEHTABH-LLVKDONJSA-N
MW371.37 g/mol
LogP3.38
Rot. Bonds6

About N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide

N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide (PubChem CID 52513082) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
PubChem CID52513082
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)cc1OC
InChIInChI=1S/C19H18FN3O4/c1-11(19-22-17(23-27-19)12-4-7-14(20)8-5-12)21-18(24)13-6-9-15(25-2)16(10-13)26-3/h4-11H,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeySGILFCYCEHTABH-LLVKDONJSA-N
XLogP3.38
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 49179572
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 52507006
[2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759043
N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083893
2-bromo-N-[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101490
methyl 6-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyridine-2-carboxylate
CID 49179087
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide (CID 52513082) is N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)cc1OC.
What is the InChIKey of N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is SGILFCYCEHTABH-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-11(19-22-17(23-27-19)12-4-7-14(20)8-5-12)21-18(24)13-6-9-15(25-2)16(10-13)26-3/h4-11H,1-3H3,(H,21,24)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide?
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 371.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 52513082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).