(5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one

C19H21NO4 — CID 67626565

IUPAC(5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one
SMILESCOC[C@H]1OCN(c2ccc3cc(OCC4CC4)ccc3c2)C1=O
InChIInChI=1S/C19H21NO4/c1-22-11-18-19(21)20(12-24-18)16-6-4-15-9-17(7-5-14(15)8-16)23-10-13-2-3-13/h4-9,13,18H,2-3,10-12H2,1H3/t18-/m1/s1
InChIKeyBEKBMVXDPDXFBT-GOSISDBHSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds6

About (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one

(5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one (PubChem CID 67626565) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one
PubChem CID67626565
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one
SMILESCOC[C@H]1OCN(c2ccc3cc(OCC4CC4)ccc3c2)C1=O
InChIInChI=1S/C19H21NO4/c1-22-11-18-19(21)20(12-24-18)16-6-4-15-9-17(7-5-14(15)8-16)23-10-13-2-3-13/h4-9,13,18H,2-3,10-12H2,1H3/t18-/m1/s1
InChIKeyBEKBMVXDPDXFBT-GOSISDBHSA-N
XLogP2.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one?
The IUPAC name of (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one (CID 67626565) is (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one?
The canonical SMILES for (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one is COC[C@H]1OCN(c2ccc3cc(OCC4CC4)ccc3c2)C1=O.
What is the InChIKey of (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one?
The InChIKey is BEKBMVXDPDXFBT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-11-18-19(21)20(12-24-18)16-6-4-15-9-17(7-5-14(15)8-16)23-10-13-2-3-13/h4-9,13,18H,2-3,10-12H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one?
(5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 67626565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).