[(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

C13H18N2O3 — CID 164635000

IUPAC[(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESCOC[C@H]1CCN1C(=O)c1onc2c1CCCC2
InChIInChI=1S/C13H18N2O3/c1-17-8-9-6-7-15(9)13(16)12-10-4-2-3-5-11(10)14-18-12/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyRKVIZVBOKYDEDC-SECBINFHSA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds3

About [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

[(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (PubChem CID 164635000) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
PubChem CID164635000
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESCOC[C@H]1CCN1C(=O)c1onc2c1CCCC2
InChIInChI=1S/C13H18N2O3/c1-17-8-9-6-7-15(9)13(16)12-10-4-2-3-5-11(10)14-18-12/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyRKVIZVBOKYDEDC-SECBINFHSA-N
XLogP1.41
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (CID 164635000) is [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is COC[C@H]1CCN1C(=O)c1onc2c1CCCC2.
What is the InChIKey of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The InChIKey is RKVIZVBOKYDEDC-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-8-9-6-7-15(9)13(16)12-10-4-2-3-5-11(10)14-18-12/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
[(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is sourced from PubChem (CID 164635000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).