[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine

C15H20N2O2 — CID 106484934

IUPAC[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine
SMILESCC(C)(C)c1cnc(COc2ccc(CN)cc2)o1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)13-9-17-14(19-13)10-18-12-6-4-11(8-16)5-7-12/h4-7,9H,8,10,16H2,1-3H3
InChIKeyPPPDIWVWRGIPRR-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.01
Rot. Bonds4

About [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine

[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine (PubChem CID 106484934) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine
PubChem CID106484934
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine
SMILESCC(C)(C)c1cnc(COc2ccc(CN)cc2)o1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)13-9-17-14(19-13)10-18-12-6-4-11(8-16)5-7-12/h4-7,9H,8,10,16H2,1-3H3
InChIKeyPPPDIWVWRGIPRR-UHFFFAOYSA-N
XLogP3.01
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one
CID 47025690
2-(5-tert-butyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 68754663
(5E)-5-[[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 68894916
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111592448
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111593576
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770
5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole
CID 117187958
[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanamine
CID 106484810
(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate
CID 71985728
[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 84764000
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493

Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine (CID 106484934) is [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine is CC(C)(C)c1cnc(COc2ccc(CN)cc2)o1.
What is the InChIKey of [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine?
The InChIKey is PPPDIWVWRGIPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)13-9-17-14(19-13)10-18-12-6-4-11(8-16)5-7-12/h4-7,9H,8,10,16H2,1-3H3.
What are the key properties of [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine?
[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106484934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).