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

C25H32N4O2 — CID 59643567

IUPACN,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCC(C)CCOc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
InChIInChI=1S/C25H32N4O2/c1-18(2)14-16-30-23-11-7-20(8-12-23)25-27-26-24(31-25)19-5-9-21(10-6-19)29-15-13-22(17-29)28(3)4/h5-12,18,22H,13-17H2,1-4H3
InChIKeyHSLKYYCLXUULMK-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.97
Rot. Bonds8

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

N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (PubChem CID 59643567) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
PubChem CID59643567
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCC(C)CCOc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
InChIInChI=1S/C25H32N4O2/c1-18(2)14-16-30-23-11-7-20(8-12-23)25-27-26-24(31-25)19-5-9-21(10-6-19)29-15-13-22(17-29)28(3)4/h5-12,18,22H,13-17H2,1-4H3
InChIKeyHSLKYYCLXUULMK-UHFFFAOYSA-N
XLogP4.97
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.97
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-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (CID 59643567) is N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is CC(C)CCOc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The InChIKey is HSLKYYCLXUULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18(2)14-16-30-23-11-7-20(8-12-23)25-27-26-24(31-25)19-5-9-21(10-6-19)29-15-13-22(17-29)28(3)4/h5-12,18,22H,13-17H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine has a molecular weight of 420.56 g/mol, XLogP of 4.97, 8 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-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 59643567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).