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

C17H29N3O2 — CID 71928387

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
SMILESCCc1cnc(CN(C)C2CCN(CC3CCOCC3)C2)o1
InChIInChI=1S/C17H29N3O2/c1-3-16-10-18-17(22-16)13-19(2)15-4-7-20(12-15)11-14-5-8-21-9-6-14/h10,14-15H,3-9,11-13H2,1-2H3
InChIKeyIWNOLIAVQRBSEU-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.17
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 71928387) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
PubChem CID71928387
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
SMILESCCc1cnc(CN(C)C2CCN(CC3CCOCC3)C2)o1
InChIInChI=1S/C17H29N3O2/c1-3-16-10-18-17(22-16)13-19(2)15-4-7-20(12-15)11-14-5-8-21-9-6-14/h10,14-15H,3-9,11-13H2,1-2H3
InChIKeyIWNOLIAVQRBSEU-UHFFFAOYSA-N
XLogP2.17
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(oxan-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine (CID 71928387) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine is CCc1cnc(CN(C)C2CCN(CC3CCOCC3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is IWNOLIAVQRBSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-16-10-18-17(22-16)13-19(2)15-4-7-20(12-15)11-14-5-8-21-9-6-14/h10,14-15H,3-9,11-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 307.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71928387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).