N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine

C24H30N4O2 — CID 59643565

IUPACN,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCC(C)c1ccc(OCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
InChIInChI=1S/C24H30N4O2/c1-17(2)18-7-11-22(12-8-18)29-16-23-25-26-24(30-23)19-5-9-20(10-6-19)28-14-13-21(15-28)27(3)4/h5-12,17,21H,13-16H2,1-4H3
InChIKeyGVHKVYUVHCMEMX-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.58
Rot. Bonds7

About N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine

N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (PubChem CID 59643565) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
PubChem CID59643565
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCC(C)c1ccc(OCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
InChIInChI=1S/C24H30N4O2/c1-17(2)18-7-11-22(12-8-18)29-16-23-25-26-24(30-23)19-5-9-20(10-6-19)28-14-13-21(15-28)27(3)4/h5-12,17,21H,13-16H2,1-4H3
InChIKeyGVHKVYUVHCMEMX-UHFFFAOYSA-N
XLogP4.58
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (CID 59643565) is N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is CC(C)c1ccc(OCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The InChIKey is GVHKVYUVHCMEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17(2)18-7-11-22(12-8-18)29-16-23-25-26-24(30-23)19-5-9-20(10-6-19)28-14-13-21(15-28)27(3)4/h5-12,17,21H,13-16H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine has a molecular weight of 406.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 59643565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).