4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine

C15H13FN2O2 — CID 100690013

IUPAC4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3o2)cc1
InChIInChI=1S/C15H13FN2O2/c1-19-11-7-5-10(6-8-11)9-17-15-18-14-12(16)3-2-4-13(14)20-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCACKATGOWMCJAG-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.59
Rot. Bonds4

About 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine

4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 100690013) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID100690013
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3o2)cc1
InChIInChI=1S/C15H13FN2O2/c1-19-11-7-5-10(6-8-11)9-17-15-18-14-12(16)3-2-4-13(14)20-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCACKATGOWMCJAG-UHFFFAOYSA-N
XLogP3.59
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 36597653
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68517878
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 60715920
4-ethynyl-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine
CID 153457023
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 34059746
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine (CID 100690013) is 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine is COc1ccc(CNc2nc3c(F)cccc3o2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is CACKATGOWMCJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-19-11-7-5-10(6-8-11)9-17-15-18-14-12(16)3-2-4-13(14)20-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 272.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 100690013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).