N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine

C19H20N2O2 — CID 133413518

IUPACN-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
SMILESc1ccc(C(CC2CCOC2)Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-6-15(7-3-1)17(12-14-10-11-22-13-14)21-19-20-16-8-4-5-9-18(16)23-19/h1-9,14,17H,10-13H2,(H,20,21)
InChIKeyBXYUOFBMHWKUBV-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine

N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine (PubChem CID 133413518) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
PubChem CID133413518
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
SMILESc1ccc(C(CC2CCOC2)Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-6-15(7-3-1)17(12-14-10-11-22-13-14)21-19-20-16-8-4-5-9-18(16)23-19/h1-9,14,17H,10-13H2,(H,20,21)
InChIKeyBXYUOFBMHWKUBV-UHFFFAOYSA-N
XLogP4.41
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
2-nitro-N-[2-(oxolan-3-yl)-1-phenylethyl]aniline
CID 133413500
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
CID 97334715
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 126802466
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974
(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
CID 124829415
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N-[2-(oxolan-3-yl)-1-phenylethyl]-4-(trifluoromethylsulfonyl)aniline
CID 133413514
2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413488
N-[2-(oxolan-3-yl)-1-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133413517

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine (CID 133413518) is N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine is c1ccc(C(CC2CCOC2)Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine?
The InChIKey is BXYUOFBMHWKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-6-15(7-3-1)17(12-14-10-11-22-13-14)21-19-20-16-8-4-5-9-18(16)23-19/h1-9,14,17H,10-13H2,(H,20,21).
What are the key properties of N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine?
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine has a molecular weight of 308.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133413518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).