(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol

C16H15NO3 — CID 78934316

IUPAC(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol
SMILESC[C@H](O)c1ccc2ccccc2c1OCc1cnoc1
InChIInChI=1S/C16H15NO3/c1-11(18)14-7-6-13-4-2-3-5-15(13)16(14)19-9-12-8-17-20-10-12/h2-8,10-11,18H,9H2,1H3/t11-/m0/s1
InChIKeyPCXRCOGFUOGENC-NSHDSACASA-N
MW269.30 g/mol
LogP3.46
Rot. Bonds4

About (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol

(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol (PubChem CID 78934316) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol
PubChem CID78934316
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol
SMILESC[C@H](O)c1ccc2ccccc2c1OCc1cnoc1
InChIInChI=1S/C16H15NO3/c1-11(18)14-7-6-13-4-2-3-5-15(13)16(14)19-9-12-8-17-20-10-12/h2-8,10-11,18H,9H2,1H3/t11-/m0/s1
InChIKeyPCXRCOGFUOGENC-NSHDSACASA-N
XLogP3.46
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol (CID 78934316) is (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol is C[C@H](O)c1ccc2ccccc2c1OCc1cnoc1.
What is the InChIKey of (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol?
The InChIKey is PCXRCOGFUOGENC-NSHDSACASA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(18)14-7-6-13-4-2-3-5-15(13)16(14)19-9-12-8-17-20-10-12/h2-8,10-11,18H,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol?
(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol has a molecular weight of 269.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol is sourced from PubChem (CID 78934316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).