N-benzyl-5-methyl-1,2-oxazol-3-amine

C11H12N2O — CID 2726693

IUPACN-benzyl-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NCc2ccccc2)no1
InChIInChI=1S/C11H12N2O/c1-9-7-11(13-14-9)12-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)
InChIKeyQIADPPGBUPWURC-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.60
Rot. Bonds3

About N-benzyl-5-methyl-1,2-oxazol-3-amine

N-benzyl-5-methyl-1,2-oxazol-3-amine (PubChem CID 2726693) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-benzyl-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-benzyl-5-methyl-1,2-oxazol-3-amine
PubChem CID2726693
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-benzyl-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NCc2ccccc2)no1
InChIInChI=1S/C11H12N2O/c1-9-7-11(13-14-9)12-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)
InChIKeyQIADPPGBUPWURC-UHFFFAOYSA-N
XLogP2.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-benzyl-5-methyl-1,2-oxazol-3-amine (CID 2726693) is N-benzyl-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-benzyl-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-benzyl-5-methyl-1,2-oxazol-3-amine is Cc1cc(NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-5-methyl-1,2-oxazol-3-amine?
The InChIKey is QIADPPGBUPWURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-7-11(13-14-9)12-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13).
What are the key properties of N-benzyl-5-methyl-1,2-oxazol-3-amine?
N-benzyl-5-methyl-1,2-oxazol-3-amine has a molecular weight of 188.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 2726693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).