4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C10H11F2N3O — CID 67270715

IUPAC4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CNc2ccc(F)cc2F)CO1
InChIInChI=1S/C10H11F2N3O/c11-6-1-2-9(8(12)3-6)14-4-7-5-16-10(13)15-7/h1-3,7,14H,4-5H2,(H2,13,15)
InChIKeyLOGTYDNECNSNJG-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.09
Rot. Bonds3

About 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67270715) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67270715
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CNc2ccc(F)cc2F)CO1
InChIInChI=1S/C10H11F2N3O/c11-6-1-2-9(8(12)3-6)14-4-7-5-16-10(13)15-7/h1-3,7,14H,4-5H2,(H2,13,15)
InChIKeyLOGTYDNECNSNJG-UHFFFAOYSA-N
XLogP1.09
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182
4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68714282
4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271503
4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68713067
4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323834
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline
CID 62066136
4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271900
(4S)-4-[2-[4-[(5-fluoro-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 56967477
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
(4S)-4-[(2S)-2-(4-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45100819
4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323706

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67270715) is 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CNc2ccc(F)cc2F)CO1.
What is the InChIKey of 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is LOGTYDNECNSNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c11-6-1-2-9(8(12)3-6)14-4-7-5-16-10(13)15-7/h1-3,7,14H,4-5H2,(H2,13,15).
What are the key properties of 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 227.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67270715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).