N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

C15H23N3O — CID 66406189

IUPACN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1noc(C)c1Cn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H23N3O/c1-11-14(12(2)19-17-11)10-18-7-6-13(9-18)8-16-15(3,4)5/h6-7,9,16H,8,10H2,1-5H3
InChIKeyKZCWUGZYWJVGPL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds4

About N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66406189) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID66406189
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1noc(C)c1Cn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H23N3O/c1-11-14(12(2)19-17-11)10-18-7-6-13(9-18)8-16-15(3,4)5/h6-7,9,16H,8,10H2,1-5H3
InChIKeyKZCWUGZYWJVGPL-UHFFFAOYSA-N
XLogP3.03
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 97405665
5-methyl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 97519837
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
CID 28781004
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28781512
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine
CID 126816371
1-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 81601301
2,2,2-Trifluoro-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]ethanone
CID 81601309
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 128990880
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 128991459
3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole
CID 19779722
3,5-dimethyl-4-[2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole
CID 53941235
3,5-Dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole
CID 141296961

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (CID 66406189) is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is Cc1noc(C)c1Cn1ccc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KZCWUGZYWJVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-14(12(2)19-17-11)10-18-7-6-13(9-18)8-16-15(3,4)5/h6-7,9,16H,8,10H2,1-5H3.
What are the key properties of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66406189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).