N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide

C20H23N5O3 — CID 126813533

IUPACN-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCc1cccc(CNC(=O)Cc2noc([C@@H]3CCO[C@H]3c3ccnn3C)n2)c1
InChIInChI=1S/C20H23N5O3/c1-13-4-3-5-14(10-13)12-21-18(26)11-17-23-20(28-24-17)15-7-9-27-19(15)16-6-8-22-25(16)2/h3-6,8,10,15,19H,7,9,11-12H2,1-2H3,(H,21,26)/t15-,19-/m1/s1
InChIKeyNCDUIKISXFCKOO-DNVCBOLYSA-N
MW381.44 g/mol
LogP2.22
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide

N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 126813533) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID126813533
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCc1cccc(CNC(=O)Cc2noc([C@@H]3CCO[C@H]3c3ccnn3C)n2)c1
InChIInChI=1S/C20H23N5O3/c1-13-4-3-5-14(10-13)12-21-18(26)11-17-23-20(28-24-17)15-7-9-27-19(15)16-6-8-22-25(16)2/h3-6,8,10,15,19H,7,9,11-12H2,1-2H3,(H,21,26)/t15-,19-/m1/s1
InChIKeyNCDUIKISXFCKOO-DNVCBOLYSA-N
XLogP2.22
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99714817
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
1-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 71801323
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110850843
3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 126816168
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474101

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide (CID 126813533) is N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide is Cc1cccc(CNC(=O)Cc2noc([C@@H]3CCO[C@H]3c3ccnn3C)n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is NCDUIKISXFCKOO-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-4-3-5-14(10-13)12-21-18(26)11-17-23-20(28-24-17)15-7-9-27-19(15)16-6-8-22-25(16)2/h3-6,8,10,15,19H,7,9,11-12H2,1-2H3,(H,21,26)/t15-,19-/m1/s1.
What are the key properties of N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 126813533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).