N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine

C14H26N4O — CID 97204402

IUPACN-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@@H](C(C)C)N2CCCC2)o1
InChIInChI=1S/C14H26N4O/c1-4-7-13-16-17-14(19-13)15-10-12(11(2)3)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyQJULXAPQCRYJIZ-LBPRGKRZSA-N
MW266.39 g/mol
LogP2.55
Rot. Bonds7

About N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 97204402) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID97204402
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@@H](C(C)C)N2CCCC2)o1
InChIInChI=1S/C14H26N4O/c1-4-7-13-16-17-14(19-13)15-10-12(11(2)3)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyQJULXAPQCRYJIZ-LBPRGKRZSA-N
XLogP2.55
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 97204402) is N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC[C@@H](C(C)C)N2CCCC2)o1.
What is the InChIKey of N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QJULXAPQCRYJIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-13-16-17-14(19-13)15-10-12(11(2)3)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97204402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).