N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

C12H16N2O — CID 56648505

IUPACN,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCN(C)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H16N2O/c1-14(2)9-11-8-12(13-15-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyQNQUJFVHVLGRAW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.74
Rot. Bonds3

About N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 56648505) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID56648505
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESCN(C)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H16N2O/c1-14(2)9-11-8-12(13-15-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyQNQUJFVHVLGRAW-UHFFFAOYSA-N
XLogP1.74
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 56648505) is N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is CN(C)CC1CC(c2ccccc2)=NO1.
What is the InChIKey of N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is QNQUJFVHVLGRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)9-11-8-12(13-15-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 56648505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).