N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C28H35N5O3 — CID 92895190

IUPACN,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCC[C@@H](C)N4CCCC4)cc3)n2)cc1
InChIInChI=1S/C28H35N5O3/c1-20-6-8-24(9-7-20)28(35)32(3)19-15-25-30-27(36-31-25)23-12-10-22(11-13-23)26(34)29-16-14-21(2)33-17-4-5-18-33/h6-13,21H,4-5,14-19H2,1-3H3,(H,29,34)/t21-/m1/s1
InChIKeyFWDZNJLNZPSVQJ-OAQYLSRUSA-N
MW489.62 g/mol
LogP3.96
Rot. Bonds10

About N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 92895190) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID92895190
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCC[C@@H](C)N4CCCC4)cc3)n2)cc1
InChIInChI=1S/C28H35N5O3/c1-20-6-8-24(9-7-20)28(35)32(3)19-15-25-30-27(36-31-25)23-12-10-22(11-13-23)26(34)29-16-14-21(2)33-17-4-5-18-33/h6-13,21H,4-5,14-19H2,1-3H3,(H,29,34)/t21-/m1/s1
InChIKeyFWDZNJLNZPSVQJ-OAQYLSRUSA-N
XLogP3.96
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50817998
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50818069
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
CID 53055195
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
2-cyclopentyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 53055620
N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 46376822
ethyl 2-[[methyl-[2-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]amino]propanoate
CID 50828434
4-[3-[2-[methyl-[(3-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]-N-propylbenzamide
CID 50826859
3-(2-chloro-4-methylphenyl)-1-methyl-1-[2-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50828529
ethyl (2R)-3-methyl-2-[[methyl-[2-[5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]amino]butanoate
CID 92895760

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 92895190) is N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCC[C@@H](C)N4CCCC4)cc3)n2)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is FWDZNJLNZPSVQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-20-6-8-24(9-7-20)28(35)32(3)19-15-25-30-27(36-31-25)23-12-10-22(11-13-23)26(34)29-16-14-21(2)33-17-4-5-18-33/h6-13,21H,4-5,14-19H2,1-3H3,(H,29,34)/t21-/m1/s1.
What are the key properties of N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 489.62 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 92895190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).