1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine

C12H17N3O2 — CID 79102287

IUPAC1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine
SMILESCOCc1cc(Cn2ccc(C(C)N)c2)no1
InChIInChI=1S/C12H17N3O2/c1-9(13)10-3-4-15(6-10)7-11-5-12(8-16-2)17-14-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyBFNKLZZDVKIEBG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.69
Rot. Bonds5

About 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine

1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine (PubChem CID 79102287) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine
PubChem CID79102287
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine
SMILESCOCc1cc(Cn2ccc(C(C)N)c2)no1
InChIInChI=1S/C12H17N3O2/c1-9(13)10-3-4-15(6-10)7-11-5-12(8-16-2)17-14-11/h3-6,9H,7-8,13H2,1-2H3
InChIKeyBFNKLZZDVKIEBG-UHFFFAOYSA-N
XLogP1.69
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099776
cyclopropyl-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]methanol
CID 79103550
(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 79027120
1-[3-methoxy-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66156818
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 103976532
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]ethanamine
CID 66191145
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propanoic acid
CID 66189160
1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-3-yl]ethanamine
CID 79102092
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine
CID 104801316

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine (CID 79102287) is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine is COCc1cc(Cn2ccc(C(C)N)c2)no1.
What is the InChIKey of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine?
The InChIKey is BFNKLZZDVKIEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(13)10-3-4-15(6-10)7-11-5-12(8-16-2)17-14-11/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine?
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79102287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).