5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine

C14H13FN2O2 — CID 133314156

IUPAC5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESCc1ccc(C(C)Nc2nc3cc(F)ccc3o2)o1
InChIInChI=1S/C14H13FN2O2/c1-8-3-5-12(18-8)9(2)16-14-17-11-7-10(15)4-6-13(11)19-14/h3-7,9H,1-2H3,(H,16,17)
InChIKeyQPUDXRBFLWMFGL-UHFFFAOYSA-N
MW260.27 g/mol
LogP4.04
Rot. Bonds3

About 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine

5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine (PubChem CID 133314156) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine
PubChem CID133314156
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESCc1ccc(C(C)Nc2nc3cc(F)ccc3o2)o1
InChIInChI=1S/C14H13FN2O2/c1-8-3-5-12(18-8)9(2)16-14-17-11-7-10(15)4-6-13(11)19-14/h3-7,9H,1-2H3,(H,16,17)
InChIKeyQPUDXRBFLWMFGL-UHFFFAOYSA-N
XLogP4.04
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133477464
(2R)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-3-methylbutanoic acid
CID 122050836
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 54968451
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43674237
2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83834399
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine
CID 128992692
2-(propan-2-ylamino)-1,3-benzoxazol-5-ol
CID 89172308
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-2-methylpropanoic acid
CID 83842670
trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 164633039
5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol
CID 63064633

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine (CID 133314156) is 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine is Cc1ccc(C(C)Nc2nc3cc(F)ccc3o2)o1.
What is the InChIKey of 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is QPUDXRBFLWMFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-3-5-12(18-8)9(2)16-14-17-11-7-10(15)4-6-13(11)19-14/h3-7,9H,1-2H3,(H,16,17).
What are the key properties of 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine?
5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 260.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133314156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).