3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine

C13H18N2O2 — CID 65178870

IUPAC3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1oc(C)c(-c2cnc(CCCN)o2)c1C
InChIInChI=1S/C13H18N2O2/c1-8-9(2)16-10(3)13(8)11-7-15-12(17-11)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyCESDEQFAWKYKAC-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.75
Rot. Bonds4

About 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178870) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178870
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1oc(C)c(-c2cnc(CCCN)o2)c1C
InChIInChI=1S/C13H18N2O2/c1-8-9(2)16-10(3)13(8)11-7-15-12(17-11)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyCESDEQFAWKYKAC-UHFFFAOYSA-N
XLogP2.75
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186937
N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65182954
3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82818945
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178542
2-[5-(2-methylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65179075
2-(3-chloropropyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818460
3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 80538064
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178870) is 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine is Cc1oc(C)c(-c2cnc(CCCN)o2)c1C.
What is the InChIKey of 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is CESDEQFAWKYKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-9(2)16-10(3)13(8)11-7-15-12(17-11)5-4-6-14/h7H,4-6,14H2,1-3H3.
What are the key properties of 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).