4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine

C16H16N2O3 — CID 66198425

IUPAC4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2c(N)noc2-c2ccoc2C)ccc1C
InChIInChI=1S/C16H16N2O3/c1-9-4-5-11(8-13(9)19-3)14-15(21-18-16(14)17)12-6-7-20-10(12)2/h4-8H,1-3H3,(H2,17,18)
InChIKeyCPPNNHJMTSBDGP-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.81
Rot. Bonds3

About 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine

4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine (PubChem CID 66198425) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
PubChem CID66198425
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2c(N)noc2-c2ccoc2C)ccc1C
InChIInChI=1S/C16H16N2O3/c1-9-4-5-11(8-13(9)19-3)14-15(21-18-16(14)17)12-6-7-20-10(12)2/h4-8H,1-3H3,(H2,17,18)
InChIKeyCPPNNHJMTSBDGP-UHFFFAOYSA-N
XLogP3.81
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine (CID 66198425) is 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine is COc1cc(-c2c(N)noc2-c2ccoc2C)ccc1C.
What is the InChIKey of 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The InChIKey is CPPNNHJMTSBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-4-5-11(8-13(9)19-3)14-15(21-18-16(14)17)12-6-7-20-10(12)2/h4-8H,1-3H3,(H2,17,18).
What are the key properties of 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine has a molecular weight of 284.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).