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

C15H23N3O2 — CID 79099776

IUPACN-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(Cc2cc(COC)on2)c1
InChIInChI=1S/C15H23N3O2/c1-4-6-16-12(2)13-5-7-18(9-13)10-14-8-15(11-19-3)20-17-14/h5,7-9,12,16H,4,6,10-11H2,1-3H3
InChIKeyCHQTZXYOYWAIFI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.73
Rot. Bonds8

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

N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine (PubChem CID 79099776) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine
PubChem CID79099776
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(Cc2cc(COC)on2)c1
InChIInChI=1S/C15H23N3O2/c1-4-6-16-12(2)13-5-7-18(9-13)10-14-8-15(11-19-3)20-17-14/h5,7-9,12,16H,4,6,10-11H2,1-3H3
InChIKeyCHQTZXYOYWAIFI-UHFFFAOYSA-N
XLogP2.73
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine (CID 79099776) is N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine is CCCNC(C)c1ccn(Cc2cc(COC)on2)c1.
What is the InChIKey of N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The InChIKey is CHQTZXYOYWAIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-6-16-12(2)13-5-7-18(9-13)10-14-8-15(11-19-3)20-17-14/h5,7-9,12,16H,4,6,10-11H2,1-3H3.
What are the key properties of N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine?
N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79099776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).