N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine

C19H28N4O — CID 71928377

IUPACN-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCc3ccncc3)C2)o1
InChIInChI=1S/C19H28N4O/c1-15(2)18-12-21-19(24-18)14-22(3)17-7-11-23(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,15,17H,6-7,10-11,13-14H2,1-3H3
InChIKeyBDBPKIUDYVJRKY-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.94
Rot. Bonds7

About N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine

N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine (PubChem CID 71928377) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
PubChem CID71928377
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCc3ccncc3)C2)o1
InChIInChI=1S/C19H28N4O/c1-15(2)18-12-21-19(24-18)14-22(3)17-7-11-23(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,15,17H,6-7,10-11,13-14H2,1-3H3
InChIKeyBDBPKIUDYVJRKY-UHFFFAOYSA-N
XLogP2.94
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine (CID 71928377) is N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine is CC(C)c1cnc(CN(C)C2CCN(CCc3ccncc3)C2)o1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The InChIKey is BDBPKIUDYVJRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(2)18-12-21-19(24-18)14-22(3)17-7-11-23(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,15,17H,6-7,10-11,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine has a molecular weight of 328.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71928377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).