3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate

C15H15NO4 — CID 86793567

IUPAC3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate
SMILESCc1ocnc1C(=O)OCC1CCOc2ccccc21
InChIInChI=1S/C15H15NO4/c1-10-14(16-9-20-10)15(17)19-8-11-6-7-18-13-5-3-2-4-12(11)13/h2-5,9,11H,6-8H2,1H3
InChIKeyGJPWEFXKRZPWOF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.71
Rot. Bonds3

About 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate

3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 86793567) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate
PubChem CID86793567
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate
SMILESCc1ocnc1C(=O)OCC1CCOc2ccccc21
InChIInChI=1S/C15H15NO4/c1-10-14(16-9-20-10)15(17)19-8-11-6-7-18-13-5-3-2-4-12(11)13/h2-5,9,11H,6-8H2,1H3
InChIKeyGJPWEFXKRZPWOF-UHFFFAOYSA-N
XLogP2.71
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-chromen-4-ylmethyl 1,3-dimethylpyrazole-4-carboxylate
CID 86793572
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate (CID 86793567) is 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate is Cc1ocnc1C(=O)OCC1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is GJPWEFXKRZPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-14(16-9-20-10)15(17)19-8-11-6-7-18-13-5-3-2-4-12(11)13/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate?
3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-ylmethyl 5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 86793567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).