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

C20H25N5O2 — CID 95883023

IUPACN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)N(C)C(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H25N5O2/c1-13-19(15(3)25(5)22-13)14(2)24(4)18(26)12-11-17-21-20(23-27-17)16-9-7-6-8-10-16/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyODLOWMBHWMCSCL-AWEZNQCLSA-N
MW367.45 g/mol
LogP3.24
Rot. Bonds6

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

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 95883023) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID95883023
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)N(C)C(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H25N5O2/c1-13-19(15(3)25(5)22-13)14(2)24(4)18(26)12-11-17-21-20(23-27-17)16-9-7-6-8-10-16/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyODLOWMBHWMCSCL-AWEZNQCLSA-N
XLogP3.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 56905255
N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46546217
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46588539
2-[methyl-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 119358642
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30663965
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 70753269
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 46985361
3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 83281075
N-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 46588483
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (CID 95883023) is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is ODLOWMBHWMCSCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-19(15(3)25(5)22-13)14(2)24(4)18(26)12-11-17-21-20(23-27-17)16-9-7-6-8-10-16/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1.
What are the key properties of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 95883023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).