N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine

C14H10BrFN2O — CID 47184777

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(Br)cc1CNc1nc2ccccc2o1
InChIInChI=1S/C14H10BrFN2O/c15-10-5-6-11(16)9(7-10)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyVDGJXRDJWNLTFC-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.34
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 47184777) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID47184777
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(Br)cc1CNc1nc2ccccc2o1
InChIInChI=1S/C14H10BrFN2O/c15-10-5-6-11(16)9(7-10)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyVDGJXRDJWNLTFC-UHFFFAOYSA-N
XLogP4.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-benzoxazol-2-ylamino)methyl]-3-fluorobenzonitrile
CID 63359756
N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
CID 114788959
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372443
3-[(1,3-benzoxazol-2-ylamino)methyl]phenol
CID 22241271
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzoxazol-2-amine
CID 33286552
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
N'-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 70693739
N-propyl-1,3-benzoxazol-2-amine
CID 584386

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine (CID 47184777) is N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine is Fc1ccc(Br)cc1CNc1nc2ccccc2o1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is VDGJXRDJWNLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-10-5-6-11(16)9(7-10)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H,17,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 321.15 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 47184777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).