N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C25H24N4O2 — CID 55753849

IUPACN-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccccc3N(C)c3ccccc3)o2)cc1
InChIInChI=1S/C25H24N4O2/c1-18-12-14-19(15-13-18)25-28-27-24(31-25)17-16-23(30)26-21-10-6-7-11-22(21)29(2)20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,26,30)
InChIKeyMQEGCXRVMHNODC-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.38
Rot. Bonds7

About N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 55753849) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID55753849
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccccc3N(C)c3ccccc3)o2)cc1
InChIInChI=1S/C25H24N4O2/c1-18-12-14-19(15-13-18)25-28-27-24(31-25)17-16-23(30)26-21-10-6-7-11-22(21)29(2)20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,26,30)
InChIKeyMQEGCXRVMHNODC-UHFFFAOYSA-N
XLogP5.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229615
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 134013000
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 86885344
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8938536

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 55753849) is N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3ccccc3N(C)c3ccccc3)o2)cc1.
What is the InChIKey of N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is MQEGCXRVMHNODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-12-14-19(15-13-18)25-28-27-24(31-25)17-16-23(30)26-21-10-6-7-11-22(21)29(2)20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 412.49 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 55753849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).