4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C18H26N6O2 — CID 72856081

IUPAC4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOCCc1noc(C2CCCN(c3nc(N)nc4c3CCCC4)C2)n1
InChIInChI=1S/C18H26N6O2/c1-25-10-8-15-21-17(26-23-15)12-5-4-9-24(11-12)16-13-6-2-3-7-14(13)20-18(19)22-16/h12H,2-11H2,1H3,(H2,19,20,22)
InChIKeyFAUSASWPRGSCMF-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.89
Rot. Bonds5

About 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 72856081) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID72856081
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOCCc1noc(C2CCCN(c3nc(N)nc4c3CCCC4)C2)n1
InChIInChI=1S/C18H26N6O2/c1-25-10-8-15-21-17(26-23-15)12-5-4-9-24(11-12)16-13-6-2-3-7-14(13)20-18(19)22-16/h12H,2-11H2,1H3,(H2,19,20,22)
InChIKeyFAUSASWPRGSCMF-UHFFFAOYSA-N
XLogP1.89
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 72856081) is 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is COCCc1noc(C2CCCN(c3nc(N)nc4c3CCCC4)C2)n1.
What is the InChIKey of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is FAUSASWPRGSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-25-10-8-15-21-17(26-23-15)12-5-4-9-24(11-12)16-13-6-2-3-7-14(13)20-18(19)22-16/h12H,2-11H2,1H3,(H2,19,20,22).
What are the key properties of 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 358.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 72856081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).