4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole

C16H18N2O3 — CID 14715377

IUPAC4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOCC1N=C(c2c(C)noc2C)OC1c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-10-14(11(2)21-18-10)16-17-13(9-19-3)15(20-16)12-7-5-4-6-8-12/h4-8,13,15H,9H2,1-3H3
InChIKeyQAWVDRFFLDINHU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.82
Rot. Bonds4

About 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 14715377) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID14715377
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOCC1N=C(c2c(C)noc2C)OC1c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-10-14(11(2)21-18-10)16-17-13(9-19-3)15(20-16)12-7-5-4-6-8-12/h4-8,13,15H,9H2,1-3H3
InChIKeyQAWVDRFFLDINHU-UHFFFAOYSA-N
XLogP2.82
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole (CID 14715377) is 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole is COCC1N=C(c2c(C)noc2C)OC1c1ccccc1.
What is the InChIKey of 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is QAWVDRFFLDINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-14(11(2)21-18-10)16-17-13(9-19-3)15(20-16)12-7-5-4-6-8-12/h4-8,13,15H,9H2,1-3H3.
What are the key properties of 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 286.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 14715377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).