1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

C16H27N3O — CID 71928382

IUPAC1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1cnc(CN(C)C2CCN(CC3CCC3)C2)o1
InChIInChI=1S/C16H27N3O/c1-3-15-9-17-16(20-15)12-18(2)14-7-8-19(11-14)10-13-5-4-6-13/h9,13-14H,3-8,10-12H2,1-2H3
InChIKeyKZWVKONKSLDTLF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.54
Rot. Bonds6

About 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 71928382) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID71928382
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1cnc(CN(C)C2CCN(CC3CCC3)C2)o1
InChIInChI=1S/C16H27N3O/c1-3-15-9-17-16(20-15)12-18(2)14-7-8-19(11-14)10-13-5-4-6-13/h9,13-14H,3-8,10-12H2,1-2H3
InChIKeyKZWVKONKSLDTLF-UHFFFAOYSA-N
XLogP2.54
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (CID 71928382) is 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is CCc1cnc(CN(C)C2CCN(CC3CCC3)C2)o1.
What is the InChIKey of 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is KZWVKONKSLDTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-15-9-17-16(20-15)12-18(2)14-7-8-19(11-14)10-13-5-4-6-13/h9,13-14H,3-8,10-12H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).