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

C16H20N2O3 — CID 66200344

IUPAC4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1C1CCOCC1
InChIInChI=1S/C16H20N2O3/c1-10-3-4-13(19-2)12(9-10)14-15(21-18-16(14)17)11-5-7-20-8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H2,17,18)
InChIKeyQNFPZVODNMNSIJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.13
Rot. Bonds3

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

4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine (PubChem CID 66200344) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
PubChem CID66200344
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1C1CCOCC1
InChIInChI=1S/C16H20N2O3/c1-10-3-4-13(19-2)12(9-10)14-15(21-18-16(14)17)11-5-7-20-8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H2,17,18)
InChIKeyQNFPZVODNMNSIJ-UHFFFAOYSA-N
XLogP3.13
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66200945
4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
CID 66200869
5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66198545
5-cyclohexyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198368
5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine
CID 66200107
5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 106856450
5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66198944
5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66199541
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66197889
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329788
4-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43335915

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine (CID 66200344) is 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine is COc1ccc(C)cc1-c1c(N)noc1C1CCOCC1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
The InChIKey is QNFPZVODNMNSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-3-4-13(19-2)12(9-10)14-15(21-18-16(14)17)11-5-7-20-8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H2,17,18).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine has a molecular weight of 288.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).