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

C16H25N5O — CID 71928425

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1ccnc1CN1CCC(N(C)Cc2ncc(C)o2)C1
InChIInChI=1S/C16H25N5O/c1-4-21-8-6-17-15(21)11-20-7-5-14(10-20)19(3)12-16-18-9-13(2)22-16/h6,8-9,14H,4-5,7,10-12H2,1-3H3
InChIKeyLXZYIKZQRUAKKC-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds6

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

1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928425) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928425
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1ccnc1CN1CCC(N(C)Cc2ncc(C)o2)C1
InChIInChI=1S/C16H25N5O/c1-4-21-8-6-17-15(21)11-20-7-5-14(10-20)19(3)12-16-18-9-13(2)22-16/h6,8-9,14H,4-5,7,10-12H2,1-3H3
InChIKeyLXZYIKZQRUAKKC-UHFFFAOYSA-N
XLogP1.91
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928425) is 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is CCn1ccnc1CN1CCC(N(C)Cc2ncc(C)o2)C1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LXZYIKZQRUAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-21-8-6-17-15(21)11-20-7-5-14(10-20)19(3)12-16-18-9-13(2)22-16/h6,8-9,14H,4-5,7,10-12H2,1-3H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 303.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).