1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone

C14H13NO2 — CID 52951453

IUPAC1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
SMILESO=C(c1ncco1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C14H13NO2/c16-13(14-15-7-8-17-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2/t12-/m0/s1
InChIKeyDRQNDBIAKIWYMJ-LBPRGKRZSA-N
MW227.26 g/mol
LogP2.66
Rot. Bonds2

About 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone

1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone (PubChem CID 52951453) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone.

Molecular Properties

Compound Name1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
PubChem CID52951453
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
SMILESO=C(c1ncco1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C14H13NO2/c16-13(14-15-7-8-17-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2/t12-/m0/s1
InChIKeyDRQNDBIAKIWYMJ-LBPRGKRZSA-N
XLogP2.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The IUPAC name of 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone (CID 52951453) is 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone.
What is the SMILES notation for 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The canonical SMILES for 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone is O=C(c1ncco1)[C@H]1CCc2ccccc2C1.
What is the InChIKey of 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The InChIKey is DRQNDBIAKIWYMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13(14-15-7-8-17-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2/t12-/m0/s1.
What are the key properties of 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone has a molecular weight of 227.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone is sourced from PubChem (CID 52951453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).