4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine

C12H13FN2O2 — CID 66197834

IUPAC4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(OC)c(F)c1
InChIInChI=1S/C12H13FN2O2/c1-3-8-11(17-15-12(8)14)7-4-5-10(16-2)9(13)6-7/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyYGLDZBCMEVFUEV-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.63
Rot. Bonds3

About 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine

4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66197834) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66197834
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(OC)c(F)c1
InChIInChI=1S/C12H13FN2O2/c1-3-8-11(17-15-12(8)14)7-4-5-10(16-2)9(13)6-7/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyYGLDZBCMEVFUEV-UHFFFAOYSA-N
XLogP2.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.63
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
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
CID 76324944
(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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine (CID 66197834) is 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine is CCc1c(N)noc1-c1ccc(OC)c(F)c1.
What is the InChIKey of 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is YGLDZBCMEVFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-3-8-11(17-15-12(8)14)7-4-5-10(16-2)9(13)6-7/h4-6H,3H2,1-2H3,(H2,14,15).
What are the key properties of 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine?
4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 236.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).