N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C13H18N2O2 — CID 65181303

IUPACN-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(C)o2)o1
InChIInChI=1S/C13H18N2O2/c1-4-7-14-10(3)13-15-8-12(17-13)11-6-5-9(2)16-11/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyNLPMXFMSHISOHE-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.30
Rot. Bonds5

About N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65181303) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65181303
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(C)o2)o1
InChIInChI=1S/C13H18N2O2/c1-4-7-14-10(3)13-15-8-12(17-13)11-6-5-9(2)16-11/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyNLPMXFMSHISOHE-UHFFFAOYSA-N
XLogP3.30
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181959
N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182827
N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183078
1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 106690342
1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181498
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183384
N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183435
N-[1-[5-(methoxymethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183024
N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183077
N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181239
N-ethyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181548

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65181303) is N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2ccc(C)o2)o1.
What is the InChIKey of N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is NLPMXFMSHISOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-7-14-10(3)13-15-8-12(17-13)11-6-5-9(2)16-11/h5-6,8,10,14H,4,7H2,1-3H3.
What are the key properties of N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).