1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C11H15N3O — CID 106415106

IUPAC1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCCn1ccc(CNCc2ccno2)c1
InChIInChI=1S/C11H15N3O/c1-2-14-6-4-10(9-14)7-12-8-11-3-5-13-15-11/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYCAWTSQXFNHZRR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds5

About 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 106415106) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID106415106
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESCCn1ccc(CNCc2ccno2)c1
InChIInChI=1S/C11H15N3O/c1-2-14-6-4-10(9-14)7-12-8-11-3-5-13-15-11/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYCAWTSQXFNHZRR-UHFFFAOYSA-N
XLogP1.79
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 66414611
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 104665246
1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417419
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 66414199
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417671
1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185896
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415418

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 106415106) is 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine is CCn1ccc(CNCc2ccno2)c1.
What is the InChIKey of 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is YCAWTSQXFNHZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-14-6-4-10(9-14)7-12-8-11-3-5-13-15-11/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 205.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 106415106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).