[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine

C12H13ClN2O2 — CID 82298313

IUPAC[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCCOc1ccc(-c2cnc(CN)o2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-2-16-10-4-3-8(5-9(10)13)11-7-15-12(6-14)17-11/h3-5,7H,2,6,14H2,1H3
InChIKeyYLUKNKXFBSNHFM-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.85
Rot. Bonds4

About [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine

[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82298313) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID82298313
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCCOc1ccc(-c2cnc(CN)o2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-2-16-10-4-3-8(5-9(10)13)11-7-15-12(6-14)17-11/h3-5,7H,2,6,14H2,1H3
InChIKeyYLUKNKXFBSNHFM-UHFFFAOYSA-N
XLogP2.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 95471843
[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179555
[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
2-(3-chloropropyl)-5-(3,4-diethoxyphenyl)-1,3-oxazole
CID 65179824
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
5-(3-chloro-4-ethoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858887
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812
N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184232
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine (CID 82298313) is [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine is CCOc1ccc(-c2cnc(CN)o2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is YLUKNKXFBSNHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-16-10-4-3-8(5-9(10)13)11-7-15-12(6-14)17-11/h3-5,7H,2,6,14H2,1H3.
What are the key properties of [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine?
[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 252.70 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82298313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).