N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline

C22H26N4O — CID 75615538

IUPACN,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCc1ccccc1CN1CCC(c2nnc(-c3ccc(N(C)C)cc3)o2)C1
InChIInChI=1S/C22H26N4O/c1-16-6-4-5-7-18(16)14-26-13-12-19(15-26)22-24-23-21(27-22)17-8-10-20(11-9-17)25(2)3/h4-11,19H,12-15H2,1-3H3
InChIKeyVKGVKKITXMMNGP-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.10
Rot. Bonds5

About N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline

N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 75615538) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
PubChem CID75615538
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCc1ccccc1CN1CCC(c2nnc(-c3ccc(N(C)C)cc3)o2)C1
InChIInChI=1S/C22H26N4O/c1-16-6-4-5-7-18(16)14-26-13-12-19(15-26)22-24-23-21(27-22)17-8-10-20(11-9-17)25(2)3/h4-11,19H,12-15H2,1-3H3
InChIKeyVKGVKKITXMMNGP-UHFFFAOYSA-N
XLogP4.10
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
CID 3692244
4-[5-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 51137783
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110235609
cyclohexyl-[3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615772
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
[4-(dimethylamino)phenyl]-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 50835044
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline (CID 75615538) is N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline is Cc1ccccc1CN1CCC(c2nnc(-c3ccc(N(C)C)cc3)o2)C1.
What is the InChIKey of N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is VKGVKKITXMMNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-6-4-5-7-18(16)14-26-13-12-19(15-26)22-24-23-21(27-22)17-8-10-20(11-9-17)25(2)3/h4-11,19H,12-15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline?
N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 362.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 75615538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).