2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol

C17H26N2O3 — CID 56775395

IUPAC2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(CC2(N(CC3CC3)CC3CC3)COC2)no1
InChIInChI=1S/C17H26N2O3/c20-6-5-16-7-15(18-22-16)8-17(11-21-12-17)19(9-13-1-2-13)10-14-3-4-14/h7,13-14,20H,1-6,8-12H2
InChIKeyCSUWEDMADUEKAH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.64
Rot. Bonds9

About 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol

2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol (PubChem CID 56775395) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol
PubChem CID56775395
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(CC2(N(CC3CC3)CC3CC3)COC2)no1
InChIInChI=1S/C17H26N2O3/c20-6-5-16-7-15(18-22-16)8-17(11-21-12-17)19(9-13-1-2-13)10-14-3-4-14/h7,13-14,20H,1-6,8-12H2
InChIKeyCSUWEDMADUEKAH-UHFFFAOYSA-N
XLogP1.64
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol (CID 56775395) is 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol is OCCc1cc(CC2(N(CC3CC3)CC3CC3)COC2)no1.
What is the InChIKey of 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol?
The InChIKey is CSUWEDMADUEKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-6-5-16-7-15(18-22-16)8-17(11-21-12-17)19(9-13-1-2-13)10-14-3-4-14/h7,13-14,20H,1-6,8-12H2.
What are the key properties of 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol?
2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol has a molecular weight of 306.41 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-[bis(cyclopropylmethyl)amino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 56775395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).