N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine

C16H14F2N2O2 — CID 34002400

IUPACN-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine
SMILESC[C@@H](Nc1nc2ccccc2o1)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O2/c1-10(11-6-2-4-8-13(11)21-15(17)18)19-16-20-12-7-3-5-9-14(12)22-16/h2-10,15H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyXQEACNGSBQDTIQ-SNVBAGLBSA-N
MW304.30 g/mol
LogP4.60
Rot. Bonds5

About N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine

N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine (PubChem CID 34002400) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine
PubChem CID34002400
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine
SMILESC[C@@H](Nc1nc2ccccc2o1)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O2/c1-10(11-6-2-4-8-13(11)21-15(17)18)19-16-20-12-7-3-5-9-14(12)22-16/h2-10,15H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyXQEACNGSBQDTIQ-SNVBAGLBSA-N
XLogP4.60
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43194545
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43539990
2-N-[1-(2-fluorophenyl)ethyl]-1,3-benzoxazole-2,6-diamine
CID 79892759
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 112697262
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932280
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
2-N-[1-(2-methylphenyl)ethyl]-1,3-benzoxazole-2,6-diamine
CID 79892619

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine (CID 34002400) is N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine is C[C@@H](Nc1nc2ccccc2o1)c1ccccc1OC(F)F.
What is the InChIKey of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is XQEACNGSBQDTIQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10(11-6-2-4-8-13(11)21-15(17)18)19-16-20-12-7-3-5-9-14(12)22-16/h2-10,15H,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine?
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 304.30 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 34002400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).