2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole

C14H15NO2 — CID 102431662

IUPAC2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc3c(c2)OC=CC3)O1
InChIInChI=1S/C14H15NO2/c1-14(2)9-15-13(17-14)11-6-5-10-4-3-7-16-12(10)8-11/h3,5-8H,4,9H2,1-2H3
InChIKeyKLUWOUMFRKNSFN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.69
Rot. Bonds1

About 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole

2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 102431662) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole
PubChem CID102431662
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc3c(c2)OC=CC3)O1
InChIInChI=1S/C14H15NO2/c1-14(2)9-15-13(17-14)11-6-5-10-4-3-7-16-12(10)8-11/h3,5-8H,4,9H2,1-2H3
InChIKeyKLUWOUMFRKNSFN-UHFFFAOYSA-N
XLogP2.69
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole (CID 102431662) is 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc3c(c2)OC=CC3)O1.
What is the InChIKey of 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is KLUWOUMFRKNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2)9-15-13(17-14)11-6-5-10-4-3-7-16-12(10)8-11/h3,5-8H,4,9H2,1-2H3.
What are the key properties of 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole?
2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 229.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromen-7-yl)-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 102431662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).