N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine

C16H16N2O — CID 27566

IUPACN,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine
SMILESCN(C)C1=CC=c2oc(-c3ccccc3)nc2=CC1
InChIInChI=1S/C16H16N2O/c1-18(2)13-8-10-14-15(11-9-13)19-16(17-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyQUPHNGBWHDVLCY-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.75
Rot. Bonds2

About N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine

N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine (PubChem CID 27566) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine
PubChem CID27566
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine
SMILESCN(C)C1=CC=c2oc(-c3ccccc3)nc2=CC1
InChIInChI=1S/C16H16N2O/c1-18(2)13-8-10-14-15(11-9-13)19-16(17-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyQUPHNGBWHDVLCY-UHFFFAOYSA-N
XLogP1.75
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine?
The IUPAC name of N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine (CID 27566) is N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine.
What is the SMILES notation for N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine?
The canonical SMILES for N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine is CN(C)C1=CC=c2oc(-c3ccccc3)nc2=CC1.
What is the InChIKey of N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine?
The InChIKey is QUPHNGBWHDVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18(2)13-8-10-14-15(11-9-13)19-16(17-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine?
N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine has a molecular weight of 252.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine is sourced from PubChem (CID 27566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).