N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C23H25N3O3 — CID 24791821

IUPACN-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCN(C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)C1CCOCC1
InChIInChI=1S/C23H25N3O3/c1-26(20-13-15-28-16-14-20)22(27)12-11-21-24-25-23(29-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3
InChIKeyBSAOXCCDARGQMY-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.97
Rot. Bonds6

About N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 24791821) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID24791821
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCN(C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)C1CCOCC1
InChIInChI=1S/C23H25N3O3/c1-26(20-13-15-28-16-14-20)22(27)12-11-21-24-25-23(29-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3
InChIKeyBSAOXCCDARGQMY-UHFFFAOYSA-N
XLogP3.97
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 24791821) is N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CN(C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is BSAOXCCDARGQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26(20-13-15-28-16-14-20)22(27)12-11-21-24-25-23(29-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 24791821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).