N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide

C20H25Cl2N5O4 — CID 11756274

IUPACN-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC(=O)Nc1noc(CCC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1
InChIInChI=1S/C20H25Cl2N5O4/c1-2-17(28)24-20-25-19(31-26-20)6-5-18(29)23-10-14-12-27(7-8-30-14)11-13-3-4-15(21)16(22)9-13/h3-4,9,14H,2,5-8,10-12H2,1H3,(H,23,29)(H,24,26,28)/t14-/m0/s1
InChIKeyUURDTZAURPNISV-AWEZNQCLSA-N
MW470.36 g/mol
LogP2.67
Rot. Bonds9

About N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide

N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 11756274) has the molecular formula C20H25Cl2N5O4 and a molecular weight of 470.36 g/mol. Its IUPAC name is N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID11756274
Molecular FormulaC20H25Cl2N5O4
Molecular Weight470.36 g/mol
Exact Mass469.13
IUPAC NameN-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC(=O)Nc1noc(CCC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1
InChIInChI=1S/C20H25Cl2N5O4/c1-2-17(28)24-20-25-19(31-26-20)6-5-18(29)23-10-14-12-27(7-8-30-14)11-13-3-4-15(21)16(22)9-13/h3-4,9,14H,2,5-8,10-12H2,1H3,(H,23,29)(H,24,26,28)/t14-/m0/s1
InChIKeyUURDTZAURPNISV-AWEZNQCLSA-N
XLogP2.67
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55522516
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylacetamide
CID 67169609
5-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]furan-2-carboxylic acid;N,N-diethylethanamine
CID 10392176
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(1-methyl-6-oxopyridazin-3-yl)sulfanylacetamide
CID 59009258
2-[4-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-4-oxobutyl]sulfanyl-1,3-thiazole-4-carboxylic acid
CID 67168586
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 142811336
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 85330039
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylsulfanylacetamide
CID 67169478
2-(4-aminophenyl)sulfanyl-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 67168644
4-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-ethylpiperidine-1-carboxamide
CID 10174267
6-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylpyridazine-3-carboxamide
CID 59009186

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide (CID 11756274) is N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide is CCC(=O)Nc1noc(CCC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1.
What is the InChIKey of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is UURDTZAURPNISV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25Cl2N5O4/c1-2-17(28)24-20-25-19(31-26-20)6-5-18(29)23-10-14-12-27(7-8-30-14)11-13-3-4-15(21)16(22)9-13/h3-4,9,14H,2,5-8,10-12H2,1H3,(H,23,29)(H,24,26,28)/t14-/m0/s1.
What are the key properties of N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide?
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 470.36 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[3-(propanoylamino)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 11756274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).