[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine

C14H18N2O — CID 82081833

IUPAC[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2ncc(CN)o2)cc1
InChIInChI=1S/C14H18N2O/c1-14(2,3)11-6-4-10(5-7-11)13-16-9-12(8-15)17-13/h4-7,9H,8,15H2,1-3H3
InChIKeyZSZVRIRTNAFPQD-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.10
Rot. Bonds2

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

[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 82081833) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
PubChem CID82081833
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2ncc(CN)o2)cc1
InChIInChI=1S/C14H18N2O/c1-14(2,3)11-6-4-10(5-7-11)13-16-9-12(8-15)17-13/h4-7,9H,8,15H2,1-3H3
InChIKeyZSZVRIRTNAFPQD-UHFFFAOYSA-N
XLogP3.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-5-yl]methanamine
CID 82075704
5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
CID 101479492
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine
CID 82293093
[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82083022
5-(2,2-dimethylpropyl)-2-(4-nitrophenyl)-1,3-oxazole
CID 172704457
2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
CID 57270447
3-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
CID 115087405
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326
2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 57076907
2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82471717
methyl 4-[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]benzoate
CID 164863176

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine (CID 82081833) is [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine is CC(C)(C)c1ccc(-c2ncc(CN)o2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is ZSZVRIRTNAFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)11-6-4-10(5-7-11)13-16-9-12(8-15)17-13/h4-7,9H,8,15H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine?
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 82081833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).