3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one

C16H29N3O3 — CID 100910389

IUPAC3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(CN(C)[C@@H]2C[C@@H](OC)C2(CC)CC)c(=O)o1
InChIInChI=1S/C16H29N3O3/c1-6-9-14-17-19(15(20)22-14)11-18(4)12-10-13(21-5)16(12,7-2)8-3/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKeyUQFBSBNVFINEAE-CHWSQXEVSA-N
MW311.43 g/mol
LogP2.27
Rot. Bonds8

About 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one

3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 100910389) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID100910389
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(CN(C)[C@@H]2C[C@@H](OC)C2(CC)CC)c(=O)o1
InChIInChI=1S/C16H29N3O3/c1-6-9-14-17-19(15(20)22-14)11-18(4)12-10-13(21-5)16(12,7-2)8-3/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKeyUQFBSBNVFINEAE-CHWSQXEVSA-N
XLogP2.27
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one (CID 100910389) is 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn(CN(C)[C@@H]2C[C@@H](OC)C2(CC)CC)c(=O)o1.
What is the InChIKey of 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is UQFBSBNVFINEAE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-6-9-14-17-19(15(20)22-14)11-18(4)12-10-13(21-5)16(12,7-2)8-3/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 100910389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).