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

C15H23N5O2 — CID 71872733

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCc1cnc(CN2CCC(N(C)Cc3noc(C)n3)C2)o1
InChIInChI=1S/C15H23N5O2/c1-4-13-7-16-15(21-13)10-20-6-5-12(8-20)19(3)9-14-17-11(2)22-18-14/h7,12H,4-6,8-10H2,1-3H3
InChIKeyVBWCSODJDXMTEF-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.63
Rot. Bonds6

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

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 71872733) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID71872733
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCc1cnc(CN2CCC(N(C)Cc3noc(C)n3)C2)o1
InChIInChI=1S/C15H23N5O2/c1-4-13-7-16-15(21-13)10-20-6-5-12(8-20)19(3)9-14-17-11(2)22-18-14/h7,12H,4-6,8-10H2,1-3H3
InChIKeyVBWCSODJDXMTEF-UHFFFAOYSA-N
XLogP1.63
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 71872471
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CID 71872494
CID 71872494
CID 71872522
CID 71872522
CID 71872532
CID 71872532
CID 71872533
CID 71872533
CID 71928320
CID 71928320
CID 71928339
CID 71928339
CID 71928356
CID 71928356
CID 71928386
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CID 71928426
CID 71928426

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 71872733) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is CCc1cnc(CN2CCC(N(C)Cc3noc(C)n3)C2)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is VBWCSODJDXMTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-13-7-16-15(21-13)10-20-6-5-12(8-20)19(3)9-14-17-11(2)22-18-14/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 305.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71872733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).