3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine

C14H18N2O2 — CID 82086137

IUPAC3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(C(C)C)cc1Cc1cc(N)on1
InChIInChI=1S/C14H18N2O2/c1-9(2)10-4-5-13(17-3)11(6-10)7-12-8-14(15)18-16-12/h4-6,8-9H,7,15H2,1-3H3
InChIKeyCHQNJHOXDLUBNS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds4

About 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine

3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine (PubChem CID 82086137) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine
PubChem CID82086137
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(C(C)C)cc1Cc1cc(N)on1
InChIInChI=1S/C14H18N2O2/c1-9(2)10-4-5-13(17-3)11(6-10)7-12-8-14(15)18-16-12/h4-6,8-9H,7,15H2,1-3H3
InChIKeyCHQNJHOXDLUBNS-UHFFFAOYSA-N
XLogP2.98
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine
CID 116926185
3-[(4-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082439
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1,2-oxazol-5-amine
CID 67811905
4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
CID 116926089
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082438
1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
CID 112513404
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929798
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine (CID 82086137) is 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine is COc1ccc(C(C)C)cc1Cc1cc(N)on1.
What is the InChIKey of 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine?
The InChIKey is CHQNJHOXDLUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)10-4-5-13(17-3)11(6-10)7-12-8-14(15)18-16-12/h4-6,8-9H,7,15H2,1-3H3.
What are the key properties of 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine?
3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82086137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).