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

C14H11FN2O — CID 47170554

IUPACN-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
SMILESFc1cccc(CNc2nc3ccccc3o2)c1
InChIInChI=1S/C14H11FN2O/c15-11-5-3-4-10(8-11)9-16-14-17-12-6-1-2-7-13(12)18-14/h1-8H,9H2,(H,16,17)
InChIKeyTYFRMQLMILCUOZ-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.58
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 47170554) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID47170554
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC NameN-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
SMILESFc1cccc(CNc2nc3ccccc3o2)c1
InChIInChI=1S/C14H11FN2O/c15-11-5-3-4-10(8-11)9-16-14-17-12-6-1-2-7-13(12)18-14/h1-8H,9H2,(H,16,17)
InChIKeyTYFRMQLMILCUOZ-UHFFFAOYSA-N
XLogP3.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,3-benzoxazol-2-ylamino)methyl]phenol
CID 22241271
N-[(3-fluorophenyl)methyl]-6-nitro-1,3-benzoxazol-2-amine
CID 79881115
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 60715920
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzoxazol-2-amine
CID 33286552
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 36597653
N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 51120966
N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 24656847
N-[(5-bromo-2-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47184777
N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 175941233
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 34059746

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine (CID 47170554) is N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine is Fc1cccc(CNc2nc3ccccc3o2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is TYFRMQLMILCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-5-3-4-10(8-11)9-16-14-17-12-6-1-2-7-13(12)18-14/h1-8H,9H2,(H,16,17).
What are the key properties of N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine?
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 242.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 47170554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).