N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C20H25N5O3 — CID 125168277

IUPACN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)N[C@H](C)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C20H25N5O3/c1-12(19-13(2)23-24-14(19)3)21-17(26)10-7-11-18-22-20(25-28-18)15-8-5-6-9-16(15)27-4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,21,26)(H,23,24)/t12-/m1/s1
InChIKeyAFLKMDWWWHHWKL-GFCCVEGCSA-N
MW383.45 g/mol
LogP3.29
Rot. Bonds8

About N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 125168277) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID125168277
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)N[C@H](C)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C20H25N5O3/c1-12(19-13(2)23-24-14(19)3)21-17(26)10-7-11-18-22-20(25-28-18)15-8-5-6-9-16(15)27-4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,21,26)(H,23,24)/t12-/m1/s1
InChIKeyAFLKMDWWWHHWKL-GFCCVEGCSA-N
XLogP3.29
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46263739
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101380
4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 17234719
N-(2-ethoxyphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160360
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 156587081
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 77084684
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 154895973
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 17354606
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 100758002

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 125168277) is N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is COc1ccccc1-c1noc(CCCC(=O)N[C@H](C)c2c(C)n[nH]c2C)n1.
What is the InChIKey of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is AFLKMDWWWHHWKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(19-13(2)23-24-14(19)3)21-17(26)10-7-11-18-22-20(25-28-18)15-8-5-6-9-16(15)27-4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,21,26)(H,23,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 383.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 125168277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).