N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide

C17H20ClN3O3 — CID 129341672

IUPACN-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)C1CCOCC1
InChIInChI=1S/C17H20ClN3O3/c1-11(22)19-16(13-6-8-23-9-7-13)17-20-15(21-24-17)10-12-2-4-14(18)5-3-12/h2-5,13,16H,6-10H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyZCYYXLFDFBOHKA-MRXNPFEDSA-N
MW349.82 g/mol
LogP2.92
Rot. Bonds5

About N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide

N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide (PubChem CID 129341672) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
PubChem CID129341672
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)C1CCOCC1
InChIInChI=1S/C17H20ClN3O3/c1-11(22)19-16(13-6-8-23-9-7-13)17-20-15(21-24-17)10-12-2-4-14(18)5-3-12/h2-5,13,16H,6-10H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyZCYYXLFDFBOHKA-MRXNPFEDSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The IUPAC name of N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide (CID 129341672) is N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide is CC(=O)N[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)C1CCOCC1.
What is the InChIKey of N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The InChIKey is ZCYYXLFDFBOHKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11(22)19-16(13-6-8-23-9-7-13)17-20-15(21-24-17)10-12-2-4-14(18)5-3-12/h2-5,13,16H,6-10H2,1H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide is sourced from PubChem (CID 129341672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).