N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide

C22H23N5O3 — CID 95094183

IUPACN-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCCn1nccc1-c1cccc(-c2noc([C@H](NC(=O)c3ccco3)C(C)C)n2)c1
InChIInChI=1S/C22H23N5O3/c1-4-27-17(10-11-23-27)15-7-5-8-16(13-15)20-25-22(30-26-20)19(14(2)3)24-21(28)18-9-6-12-29-18/h5-14,19H,4H2,1-3H3,(H,24,28)/t19-/m1/s1
InChIKeyQBUZWAZSYPPIPT-LJQANCHMSA-N
MW405.46 g/mol
LogP4.34
Rot. Bonds7

About N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide

N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide (PubChem CID 95094183) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
PubChem CID95094183
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCCn1nccc1-c1cccc(-c2noc([C@H](NC(=O)c3ccco3)C(C)C)n2)c1
InChIInChI=1S/C22H23N5O3/c1-4-27-17(10-11-23-27)15-7-5-8-16(13-15)20-25-22(30-26-20)19(14(2)3)24-21(28)18-9-6-12-29-18/h5-14,19H,4H2,1-3H3,(H,24,28)/t19-/m1/s1
InChIKeyQBUZWAZSYPPIPT-LJQANCHMSA-N
XLogP4.34
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53138548
N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53043089
N-[1-[3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 53126980
N-[(1R,2S)-2-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 98370359
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92502530
N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 95102314
N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 95083510
N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 92502542
N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 53065232
N-[(1S)-1-[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 95086855
N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92501919

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide (CID 95094183) is N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide is CCn1nccc1-c1cccc(-c2noc([C@H](NC(=O)c3ccco3)C(C)C)n2)c1.
What is the InChIKey of N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
The InChIKey is QBUZWAZSYPPIPT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-4-27-17(10-11-23-27)15-7-5-8-16(13-15)20-25-22(30-26-20)19(14(2)3)24-21(28)18-9-6-12-29-18/h5-14,19H,4H2,1-3H3,(H,24,28)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 95094183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).