(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide

C18H19N3O3 — CID 95144224

IUPAC(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccco2)no1
InChIInChI=1S/C18H19N3O3/c1-13-19-17(20-24-13)12-21(2)18(22)11-15(16-9-6-10-23-16)14-7-4-3-5-8-14/h3-10,15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyLZWCDGCYOBEQIC-HNNXBMFYSA-N
MW325.37 g/mol
LogP3.15
Rot. Bonds6

About (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide

(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide (PubChem CID 95144224) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide
PubChem CID95144224
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccco2)no1
InChIInChI=1S/C18H19N3O3/c1-13-19-17(20-24-13)12-21(2)18(22)11-15(16-9-6-10-23-16)14-7-4-3-5-8-14/h3-10,15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyLZWCDGCYOBEQIC-HNNXBMFYSA-N
XLogP3.15
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpropanamide
CID 131938749
(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 95119513
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621188
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470
(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide
CID 124841808
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
CID 60838393
(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 25451977
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507731
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)acetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626048

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide (CID 95144224) is (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide is Cc1nc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccco2)no1.
What is the InChIKey of (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is LZWCDGCYOBEQIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-19-17(20-24-13)12-21(2)18(22)11-15(16-9-6-10-23-16)14-7-4-3-5-8-14/h3-10,15H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 325.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 95144224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).