(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine

C9H16N2O — CID 105433844

IUPAC(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine
SMILESCc1oc(CN)nc1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-6-8(9(2,3)4)11-7(5-10)12-6/h5,10H2,1-4H3
InChIKeyQHJIHVUCSQKTRR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.74
Rot. Bonds1

About (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine

(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine (PubChem CID 105433844) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine
PubChem CID105433844
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine
SMILESCc1oc(CN)nc1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-6-8(9(2,3)4)11-7(5-10)12-6/h5,10H2,1-4H3
InChIKeyQHJIHVUCSQKTRR-UHFFFAOYSA-N
XLogP1.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butyl-5-ethyl-1,3-oxazol-2-yl)methanamine
CID 105440199
[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine
CID 68802787
(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine
CID 130116175
[4-(4-fluorophenyl)-5-methyl-1,3-oxazol-2-yl]methanamine
CID 82283251
(2-ethyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82502441
(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373832
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 46736960
(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229697
[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine
CID 82280585
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
CID 82503114
[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
CID 84686693

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine (CID 105433844) is (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine is Cc1oc(CN)nc1C(C)(C)C.
What is the InChIKey of (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine?
The InChIKey is QHJIHVUCSQKTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-8(9(2,3)4)11-7(5-10)12-6/h5,10H2,1-4H3.
What are the key properties of (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine?
(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 105433844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).