N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

C17H27N5O — CID 71928383

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCCc1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1
InChIInChI=1S/C17H27N5O/c1-4-16-10-18-17(23-16)13-20(2)15-6-8-22(12-15)7-5-14-9-19-21(3)11-14/h9-11,15H,4-8,12-13H2,1-3H3
InChIKeyPYYDWISNUALIRT-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.72
Rot. Bonds7

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 71928383) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID71928383
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCCc1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1
InChIInChI=1S/C17H27N5O/c1-4-16-10-18-17(23-16)13-20(2)15-6-8-22(12-15)7-5-14-9-19-21(3)11-14/h9-11,15H,4-8,12-13H2,1-3H3
InChIKeyPYYDWISNUALIRT-UHFFFAOYSA-N
XLogP1.72
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (CID 71928383) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is CCc1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is PYYDWISNUALIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-4-16-10-18-17(23-16)13-20(2)15-6-8-22(12-15)7-5-14-9-19-21(3)11-14/h9-11,15H,4-8,12-13H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 317.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).