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

C22H21N5O2 — CID 42197008

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCn1ccnc1CNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H21N5O2/c1-27-14-13-23-19(27)15-24-20(28)11-12-21-25-26-22(29-21)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,28)
InChIKeyOZVHDRDTDMLUSW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.39
Rot. Bonds7

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

N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42197008) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42197008
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCn1ccnc1CNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H21N5O2/c1-27-14-13-23-19(27)15-24-20(28)11-12-21-25-26-22(29-21)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,28)
InChIKeyOZVHDRDTDMLUSW-UHFFFAOYSA-N
XLogP3.39
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 42197008) is N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cn1ccnc1CNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is OZVHDRDTDMLUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-27-14-13-23-19(27)15-24-20(28)11-12-21-25-26-22(29-21)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,28).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42197008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).