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

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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).