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

C23H23N5O2 — CID 42566503

IUPACN-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1c([C@H](C)NC(=O)CCc2nc(-c3ccccc3)no2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-16(20-15-24-28(17(20)2)19-11-7-4-8-12-19)25-21(29)13-14-22-26-23(27-30-22)18-9-5-3-6-10-18/h3-12,15-16H,13-14H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyRSIMTRLOIRDOPN-INIZCTEOSA-N
MW401.47 g/mol
LogP4.04
Rot. Bonds7

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

N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 42566503) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID42566503
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1c([C@H](C)NC(=O)CCc2nc(-c3ccccc3)no2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-16(20-15-24-28(17(20)2)19-11-7-4-8-12-19)25-21(29)13-14-22-26-23(27-30-22)18-9-5-3-6-10-18/h3-12,15-16H,13-14H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyRSIMTRLOIRDOPN-INIZCTEOSA-N
XLogP4.04
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9152122
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
CID 97212156
N-[1-(2-bromophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55498576
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
CID 47089574

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 42566503) is N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1c([C@H](C)NC(=O)CCc2nc(-c3ccccc3)no2)cnn1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is RSIMTRLOIRDOPN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16(20-15-24-28(17(20)2)19-11-7-4-8-12-19)25-21(29)13-14-22-26-23(27-30-22)18-9-5-3-6-10-18/h3-12,15-16H,13-14H2,1-2H3,(H,25,29)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 42566503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).