methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate

C20H27N3O4 — CID 55821846

IUPACmethyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
SMILESCCCc1noc(CCCC(=O)NC(CC(=O)OC)c2ccc(C)cc2)n1
InChIInChI=1S/C20H27N3O4/c1-4-6-17-22-19(27-23-17)8-5-7-18(24)21-16(13-20(25)26-3)15-11-9-14(2)10-12-15/h9-12,16H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyKQZIMWFFEPISCG-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.07
Rot. Bonds10

About methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate

methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate (PubChem CID 55821846) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
PubChem CID55821846
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namemethyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
SMILESCCCc1noc(CCCC(=O)NC(CC(=O)OC)c2ccc(C)cc2)n1
InChIInChI=1S/C20H27N3O4/c1-4-6-17-22-19(27-23-17)8-5-7-18(24)21-16(13-20(25)26-3)15-11-9-14(2)10-12-15/h9-12,16H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyKQZIMWFFEPISCG-UHFFFAOYSA-N
XLogP3.07
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55998018
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N-[1-(4-methylphenyl)propyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24543553
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120567918
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
CID 55914760
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 51110901
(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 methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
The IUPAC name of methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate (CID 55821846) is methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
The canonical SMILES for methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate is CCCc1noc(CCCC(=O)NC(CC(=O)OC)c2ccc(C)cc2)n1.
What is the InChIKey of methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
The InChIKey is KQZIMWFFEPISCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-6-17-22-19(27-23-17)8-5-7-18(24)21-16(13-20(25)26-3)15-11-9-14(2)10-12-15/h9-12,16H,4-8,13H2,1-3H3,(H,21,24).
What are the key properties of methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate has a molecular weight of 373.45 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate is sourced from PubChem (CID 55821846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).