N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine

C8H14N2O — CID 25220772

IUPACN-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
SMILESCNCc1cc(C(C)C)no1
InChIInChI=1S/C8H14N2O/c1-6(2)8-4-7(5-9-3)11-10-8/h4,6,9H,5H2,1-3H3
InChIKeyBYGUSSATSGHWCD-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.52
Rot. Bonds3

About N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine

N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 25220772) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
PubChem CID25220772
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
SMILESCNCc1cc(C(C)C)no1
InChIInChI=1S/C8H14N2O/c1-6(2)8-4-7(5-9-3)11-10-8/h4,6,9H,5H2,1-3H3
InChIKeyBYGUSSATSGHWCD-UHFFFAOYSA-N
XLogP1.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
CID 115720213
1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine
CID 115720217
3,4,5-trifluoro-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 71997561
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine
CID 115627607
1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 115627609
1-(2-hydroxy-4-methylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335800
N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine
CID 83871972
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111618886
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335806
2-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111584017
1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111335796
(1S,6R)-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]cyclohex-3-ene-1-carboxylic acid
CID 167929344

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine (CID 25220772) is N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine is CNCc1cc(C(C)C)no1.
What is the InChIKey of N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is BYGUSSATSGHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8-4-7(5-9-3)11-10-8/h4,6,9H,5H2,1-3H3.
What are the key properties of N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine?
N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 154.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 25220772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).