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

C17H24N2O2 — CID 65183384

IUPACN-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2cccc(OCCC)c2)o1
InChIInChI=1S/C17H24N2O2/c1-4-9-18-13(3)17-19-12-16(21-17)14-7-6-8-15(11-14)20-10-5-2/h6-8,11-13,18H,4-5,9-10H2,1-3H3
InChIKeyHADUISOQIDQVQW-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.19
Rot. Bonds8

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

N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183384) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183384
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2cccc(OCCC)c2)o1
InChIInChI=1S/C17H24N2O2/c1-4-9-18-13(3)17-19-12-16(21-17)14-7-6-8-15(11-14)20-10-5-2/h6-8,11-13,18H,4-5,9-10H2,1-3H3
InChIKeyHADUISOQIDQVQW-UHFFFAOYSA-N
XLogP4.19
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181244
N-ethyl-1-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181800
N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181959
N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183078
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181303
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183599
5-(3-butoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 102543629
N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365
N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62919697
N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182827
2-(1-bromopropyl)-5-(3-propoxyphenyl)-1,3,4-oxadiazole
CID 62919503

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183384) is N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2cccc(OCCC)c2)o1.
What is the InChIKey of N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is HADUISOQIDQVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-18-13(3)17-19-12-16(21-17)14-7-6-8-15(11-14)20-10-5-2/h6-8,11-13,18H,4-5,9-10H2,1-3H3.
What are the key properties of N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).