(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide

C16H18N4O2 — CID 124841808

IUPAC(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide
SMILESCc1nc(CN(C)C(=O)[C@@H](C#N)CCc2ccccc2)no1
InChIInChI=1S/C16H18N4O2/c1-12-18-15(19-22-12)11-20(2)16(21)14(10-17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyBDJTUUNBCJMPQE-CQSZACIVSA-N
MW298.35 g/mol
LogP2.11
Rot. Bonds6

About (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide

(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide (PubChem CID 124841808) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide
PubChem CID124841808
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide
SMILESCc1nc(CN(C)C(=O)[C@@H](C#N)CCc2ccccc2)no1
InChIInChI=1S/C16H18N4O2/c1-12-18-15(19-22-12)11-20(2)16(21)14(10-17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyBDJTUUNBCJMPQE-CQSZACIVSA-N
XLogP2.11
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 91841217
(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide
CID 95144224
(3R,5S)-1-benzyl-N,3,5-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 97074188
2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
CID 111462156
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
CID 60838393
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 55791592
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
CID 83872495
[(1S)-1-cyano-3-phenylpropyl] N,N-dimethylcarbamate
CID 56964806
2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 72893759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide?
The IUPAC name of (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide (CID 124841808) is (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide is Cc1nc(CN(C)C(=O)[C@@H](C#N)CCc2ccccc2)no1.
What is the InChIKey of (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide?
The InChIKey is BDJTUUNBCJMPQE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-18-15(19-22-12)11-20(2)16(21)14(10-17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide?
(2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide has a molecular weight of 298.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 124841808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).