N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine

C19H27N3O — CID 71928404

IUPACN-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine
SMILESCc1cnc(CN(C)C2CCN(CCCc3ccccc3)C2)o1
InChIInChI=1S/C19H27N3O/c1-16-13-20-19(23-16)15-21(2)18-10-12-22(14-18)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14-15H2,1-2H3
InChIKeyYATSBHYHBUAXLK-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.12
Rot. Bonds7

About N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine

N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine (PubChem CID 71928404) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine
PubChem CID71928404
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine
SMILESCc1cnc(CN(C)C2CCN(CCCc3ccccc3)C2)o1
InChIInChI=1S/C19H27N3O/c1-16-13-20-19(23-16)15-21(2)18-10-12-22(14-18)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14-15H2,1-2H3
InChIKeyYATSBHYHBUAXLK-UHFFFAOYSA-N
XLogP3.12
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine (CID 71928404) is N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine is Cc1cnc(CN(C)C2CCN(CCCc3ccccc3)C2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine?
The InChIKey is YATSBHYHBUAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-16-13-20-19(23-16)15-21(2)18-10-12-22(14-18)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine?
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine has a molecular weight of 313.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 71928404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).