(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine

C10H9FN2O — CID 164552922

IUPAC(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine
SMILESNC(c1cccc(F)c1)c1ncco1
InChIInChI=1S/C10H9FN2O/c11-8-3-1-2-7(6-8)9(12)10-13-4-5-14-10/h1-6,9H,12H2
InChIKeyIXJKFZJFMFDOLI-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.86
Rot. Bonds2

About (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine

(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine (PubChem CID 164552922) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine
PubChem CID164552922
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine
SMILESNC(c1cccc(F)c1)c1ncco1
InChIInChI=1S/C10H9FN2O/c11-8-3-1-2-7(6-8)9(12)10-13-4-5-14-10/h1-6,9H,12H2
InChIKeyIXJKFZJFMFDOLI-UHFFFAOYSA-N
XLogP1.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1,3-oxazol-2-yl(phenyl)methanamine
CID 96656176
(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
(3-fluorophenyl)-(3-methylfuran-2-yl)methanamine
CID 104804536
(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
CID 113398572
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(4-fluorophenyl)-(1,3-oxazol-2-yl)methanol
CID 68870928
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
[(3-fluorophenyl)-trimethylsilylmethyl]-trimethylsilane
CID 23235532
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine
CID 117242787

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine?
The IUPAC name of (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine (CID 164552922) is (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine is NC(c1cccc(F)c1)c1ncco1.
What is the InChIKey of (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine?
The InChIKey is IXJKFZJFMFDOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-8-3-1-2-7(6-8)9(12)10-13-4-5-14-10/h1-6,9H,12H2.
What are the key properties of (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine?
(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine has a molecular weight of 192.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 164552922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).