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

C16H16N2O3 — CID 43336125

IUPAC4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2c(-c3ccoc3C)noc2N)ccc1C
InChIInChI=1S/C16H16N2O3/c1-9-4-5-11(8-13(9)19-3)14-15(18-21-16(14)17)12-6-7-20-10(12)2/h4-8H,17H2,1-3H3
InChIKeyXQCDKQNHKDCDED-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.81
Rot. Bonds3

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

4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 43336125) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
PubChem CID43336125
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2c(-c3ccoc3C)noc2N)ccc1C
InChIInChI=1S/C16H16N2O3/c1-9-4-5-11(8-13(9)19-3)14-15(18-21-16(14)17)12-6-7-20-10(12)2/h4-8H,17H2,1-3H3
InChIKeyXQCDKQNHKDCDED-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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Related Compounds

4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine
CID 79802919
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
3-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62828557
4-(3-chlorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335614
3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 43158422
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
3-(5-bromo-2-methylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine;ethane
CID 144602769
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
3-(3-methoxythiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 81121771

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine (CID 43336125) is 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine is COc1cc(-c2c(-c3ccoc3C)noc2N)ccc1C.
What is the InChIKey of 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is XQCDKQNHKDCDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-4-5-11(8-13(9)19-3)14-15(18-21-16(14)17)12-6-7-20-10(12)2/h4-8H,17H2,1-3H3.
What are the key properties of 4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine?
4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-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)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43336125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).