methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate

C18H23N3O4 — CID 95275306

IUPACmethyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
SMILESCCCc1noc(CCCC(=O)N[C@@H](C(=O)OC)c2ccccc2)n1
InChIInChI=1S/C18H23N3O4/c1-3-8-14-19-16(25-21-14)12-7-11-15(22)20-17(18(23)24-2)13-9-5-4-6-10-13/h4-6,9-10,17H,3,7-8,11-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyKBGNVBKLKSHCDT-QGZVFWFLSA-N
MW345.40 g/mol
LogP2.38
Rot. Bonds9

About methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate

methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate (PubChem CID 95275306) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
PubChem CID95275306
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
SMILESCCCc1noc(CCCC(=O)N[C@@H](C(=O)OC)c2ccccc2)n1
InChIInChI=1S/C18H23N3O4/c1-3-8-14-19-16(25-21-14)12-7-11-15(22)20-17(18(23)24-2)13-9-5-4-6-10-13/h4-6,9-10,17H,3,7-8,11-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyKBGNVBKLKSHCDT-QGZVFWFLSA-N
XLogP2.38
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
CID 119372360
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120567918
methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55821846
methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55998018
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119364174
methyl 3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 43623424
N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119045768

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate (CID 95275306) is methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate is CCCc1noc(CCCC(=O)N[C@@H](C(=O)OC)c2ccccc2)n1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate?
The InChIKey is KBGNVBKLKSHCDT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-8-14-19-16(25-21-14)12-7-11-15(22)20-17(18(23)24-2)13-9-5-4-6-10-13/h4-6,9-10,17H,3,7-8,11-12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate?
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate has a molecular weight of 345.40 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate is sourced from PubChem (CID 95275306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).