1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine

C12H14N2O — CID 112545403

IUPAC1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
SMILESCNCc1ocnc1Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-13-8-12-11(14-9-15-12)7-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyBRXZDURZOXINBF-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine

1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine (PubChem CID 112545403) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
PubChem CID112545403
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
SMILESCNCc1ocnc1Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-13-8-12-11(14-9-15-12)7-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyBRXZDURZOXINBF-UHFFFAOYSA-N
XLogP1.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-(furan-2-yl)ethyl]-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139756
borane;N-methyl-1-phenylmethanamine
CID 134979061
4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
CID 163316308
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
5-benzyl-1,3-oxazole-4-carbohydrazide
CID 100802146
4-(4-benzyl-1,3-oxazol-5-yl)morpholine
CID 135041945
4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 163311032
N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine
CID 79139957
2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
CID 163312376
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
N-methyl-1-(3-phenylfuran-2-yl)methanamine
CID 106886773
N-methyl-1-[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 79140225

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine (CID 112545403) is 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine is CNCc1ocnc1Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine?
The InChIKey is BRXZDURZOXINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-13-8-12-11(14-9-15-12)7-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3.
What are the key properties of 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine?
1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 112545403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).