2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol

C14H19N3O2 — CID 82830527

IUPAC2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCCCNC(C)c1nnc(-c2cccc(O)c2C)o1
InChIInChI=1S/C14H19N3O2/c1-4-8-15-10(3)13-16-17-14(19-13)11-6-5-7-12(18)9(11)2/h5-7,10,15,18H,4,8H2,1-3H3
InChIKeySPDYRCISZSLYML-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.81
Rot. Bonds5

About 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol

2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 82830527) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
PubChem CID82830527
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCCCNC(C)c1nnc(-c2cccc(O)c2C)o1
InChIInChI=1S/C14H19N3O2/c1-4-8-15-10(3)13-16-17-14(19-13)11-6-5-7-12(18)9(11)2/h5-7,10,15,18H,4,8H2,1-3H3
InChIKeySPDYRCISZSLYML-UHFFFAOYSA-N
XLogP2.81
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol (CID 82830527) is 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol is CCCNC(C)c1nnc(-c2cccc(O)c2C)o1.
What is the InChIKey of 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is SPDYRCISZSLYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-8-15-10(3)13-16-17-14(19-13)11-6-5-7-12(18)9(11)2/h5-7,10,15,18H,4,8H2,1-3H3.
What are the key properties of 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol?
2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 261.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 82830527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).