5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine

C12H12F2N2O2 — CID 66197835

IUPAC5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H12F2N2O2/c1-2-9-10(18-16-11(9)15)7-3-5-8(6-4-7)17-12(13)14/h3-6,12H,2H2,1H3,(H2,15,16)
InChIKeyHKUNNPWRYMNKBH-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.09
Rot. Bonds4

About 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine

5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine (PubChem CID 66197835) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine
PubChem CID66197835
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H12F2N2O2/c1-2-9-10(18-16-11(9)15)7-3-5-8(6-4-7)17-12(13)14/h3-6,12H,2H2,1H3,(H2,15,16)
InChIKeyHKUNNPWRYMNKBH-UHFFFAOYSA-N
XLogP3.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
5-(4-Methoxyphenyl)isoxazole
CID 2736756
4-Methoxy-1,2-benzoxazol-3-amine
CID 2779751
(E)-3-fluoro-2-[[4-(4-methyl-1,2-oxazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512240
(Z)-3-fluoro-2-[[4-(4-methyl-1,2-oxazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369032
[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 42281871
5-(4-Butoxy-phenyl)-3-methyl-isoxazole
CID 11253245
5-(4-Butoxy-phenyl)-4-methyl-isoxazole
CID 11322201
5-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole
CID 13950184
6-Methoxy-1,2-benzoxazol-3-amine
CID 10678579
4-Ethyl-3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 19586929
3,5-Bis(4-methoxyphenyl)-4-methyl-1,2-oxazole
CID 22554870

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine (CID 66197835) is 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is HKUNNPWRYMNKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-2-9-10(18-16-11(9)15)7-3-5-8(6-4-7)17-12(13)14/h3-6,12H,2H2,1H3,(H2,15,16).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine?
5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine has a molecular weight of 254.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66197835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).