2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine

C15H14F2N2O2 — CID 141063398

IUPAC2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2Cc2ccc(F)c(F)c2)o1
InChIInChI=1S/C15H14F2N2O2/c1-9-2-5-14(20-9)13-7-15(18)21-19(13)8-10-3-4-11(16)12(17)6-10/h2-7,13H,8,18H2,1H3
InChIKeyPCNJEUHXAQFJNN-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine

2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063398) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063398
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2Cc2ccc(F)c(F)c2)o1
InChIInChI=1S/C15H14F2N2O2/c1-9-2-5-14(20-9)13-7-15(18)21-19(13)8-10-3-4-11(16)12(17)6-10/h2-7,13H,8,18H2,1H3
InChIKeyPCNJEUHXAQFJNN-UHFFFAOYSA-N
XLogP3.15
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 141063301
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
2-bromo-3-[(3,4-difluorophenyl)methyl]-4-methyl-2H-1,3-thiazole
CID 141202351
3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine
CID 141063580
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605112
[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine
CID 114195967
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
CID 55159075
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
1-[(3,4-difluorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 82929772
1-[(3,4-difluorophenyl)methyl]-4-methylsulfanylindol-6-amine
CID 82917028

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine (CID 141063398) is 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccc(C2C=C(N)ON2Cc2ccc(F)c(F)c2)o1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is PCNJEUHXAQFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-2-5-14(20-9)13-7-15(18)21-19(13)8-10-3-4-11(16)12(17)6-10/h2-7,13H,8,18H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine?
2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 292.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-3-(5-methylfuran-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).