4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole

C16H19NO3 — CID 167800527

IUPAC4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole
SMILESCc1nc(COc2ccc3c(c2)OC(C)(C)CC3)co1
InChIInChI=1S/C16H19NO3/c1-11-17-13(9-18-11)10-19-14-5-4-12-6-7-16(2,3)20-15(12)8-14/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVOQCVRHRSPBFDR-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.67
Rot. Bonds3

About 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole

4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole (PubChem CID 167800527) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole
PubChem CID167800527
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole
SMILESCc1nc(COc2ccc3c(c2)OC(C)(C)CC3)co1
InChIInChI=1S/C16H19NO3/c1-11-17-13(9-18-11)10-19-14-5-4-12-6-7-16(2,3)20-15(12)8-14/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVOQCVRHRSPBFDR-UHFFFAOYSA-N
XLogP3.67
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 146041352
4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole
CID 167788048
7-(4-isocyanatophenoxy)-2,2-dimethyl-3,4-dihydrochromene
CID 14152466
(3S)-3-[4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid
CID 68683820
[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117401910
5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335670
N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
CID 10999838
4-[(2-fluorophenoxy)methyl]-2-methyl-1,3-oxazole
CID 117190932
2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
CID 84685961
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
CID 117339343
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole (CID 167800527) is 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole is Cc1nc(COc2ccc3c(c2)OC(C)(C)CC3)co1.
What is the InChIKey of 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole?
The InChIKey is VOQCVRHRSPBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-17-13(9-18-11)10-19-14-5-4-12-6-7-16(2,3)20-15(12)8-14/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole?
4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole has a molecular weight of 273.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3,4-dihydrochromen-7-yl)oxymethyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 167800527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).