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

C16H16N2O2 — CID 66201310

IUPAC4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2occc2C)cc1C
InChIInChI=1S/C16H16N2O2/c1-9-4-5-12(8-11(9)3)13-15(20-18-16(13)17)14-10(2)6-7-19-14/h4-8H,1-3H3,(H2,17,18)
InChIKeyQGMAVBLZBMDLSO-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.11
Rot. Bonds2

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

4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine (PubChem CID 66201310) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
PubChem CID66201310
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2occc2C)cc1C
InChIInChI=1S/C16H16N2O2/c1-9-4-5-12(8-11(9)3)13-15(20-18-16(13)17)14-10(2)6-7-19-14/h4-8H,1-3H3,(H2,17,18)
InChIKeyQGMAVBLZBMDLSO-UHFFFAOYSA-N
XLogP4.11
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66201119
5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
CID 66202854
4-(2,4-dichlorophenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66200956
4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786790
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66201314
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66200765
5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
CID 83152949
4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
5-(3-methoxy-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525603

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine (CID 66201310) is 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2-c2occc2C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine?
The InChIKey is QGMAVBLZBMDLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-9-4-5-12(8-11(9)3)13-15(20-18-16(13)17)14-10(2)6-7-19-14/h4-8H,1-3H3,(H2,17,18).
What are the key properties of 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine?
4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine has a molecular weight of 268.32 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).