N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine

C16H13F3N2O2 — CID 133275381

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3o2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-7-6-10(12(8-11)16(17,18)19)9-20-15-21-13-4-2-3-5-14(13)23-15/h2-8H,9H2,1H3,(H,20,21)
InChIKeyHDKCYDPRRWBJDC-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.47
Rot. Bonds4

About N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 133275381) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
PubChem CID133275381
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3o2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-7-6-10(12(8-11)16(17,18)19)9-20-15-21-13-4-2-3-5-14(13)23-15/h2-8H,9H2,1H3,(H,20,21)
InChIKeyHDKCYDPRRWBJDC-UHFFFAOYSA-N
XLogP4.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.47
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
N-[3-(2,5-dimethoxyphenyl)propyl]-1,3-benzoxazol-2-amine
CID 133405981
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 60715920
N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 24656847
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47184777
4-[(1,3-benzoxazol-2-ylamino)methyl]-3-fluorobenzonitrile
CID 63359756
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
CID 133390192
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275348
N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 175941233
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970800

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine (CID 133275381) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine is COc1ccc(CNc2nc3ccccc3o2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is HDKCYDPRRWBJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-22-11-7-6-10(12(8-11)16(17,18)19)9-20-15-21-13-4-2-3-5-14(13)23-15/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 322.29 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133275381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).