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

C23H24N4O4 — CID 28953543

IUPACN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCCN1CCOC1=O
InChIInChI=1S/C23H24N4O4/c28-20(24-12-13-27-14-15-30-23(27)29)10-11-21-25-26-22(31-21)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,24,28)
InChIKeyXEQRDVXNEDIMEF-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.83
Rot. Bonds9

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

N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 28953543) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID28953543
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCCN1CCOC1=O
InChIInChI=1S/C23H24N4O4/c28-20(24-12-13-27-14-15-30-23(27)29)10-11-21-25-26-22(31-21)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,24,28)
InChIKeyXEQRDVXNEDIMEF-UHFFFAOYSA-N
XLogP2.83
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 28953543) is N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCCN1CCOC1=O.
What is the InChIKey of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is XEQRDVXNEDIMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-20(24-12-13-27-14-15-30-23(27)29)10-11-21-25-26-22(31-21)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,24,28).
What are the key properties of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 420.47 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 28953543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).