N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C21H27N5O2 — CID 119045768

IUPACN-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2nn(C(C)c3ccccc3)cc2C)n1
InChIInChI=1S/C21H27N5O2/c1-4-9-18-22-20(28-25-18)13-8-12-19(27)23-21-15(2)14-26(24-21)16(3)17-10-6-5-7-11-17/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3,(H,23,24,27)
InChIKeyVYTGUYGILMFTBO-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.10
Rot. Bonds9

About N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 119045768) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID119045768
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2nn(C(C)c3ccccc3)cc2C)n1
InChIInChI=1S/C21H27N5O2/c1-4-9-18-22-20(28-25-18)13-8-12-19(27)23-21-15(2)14-26(24-21)16(3)17-10-6-5-7-11-17/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3,(H,23,24,27)
InChIKeyVYTGUYGILMFTBO-UHFFFAOYSA-N
XLogP4.10
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]butanamide
CID 119045772
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 124735491
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 124730233
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]acetamide
CID 124853971
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119364174

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 119045768) is N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)Nc2nn(C(C)c3ccccc3)cc2C)n1.
What is the InChIKey of N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is VYTGUYGILMFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-9-18-22-20(28-25-18)13-8-12-19(27)23-21-15(2)14-26(24-21)16(3)17-10-6-5-7-11-17/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3,(H,23,24,27).
What are the key properties of N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 381.48 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 119045768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).