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

C17H27N5O2 — CID 71872687

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1noc(C)c1CN1CCC(N(C)Cc2noc(C(C)C)n2)C1
InChIInChI=1S/C17H27N5O2/c1-11(2)17-18-16(20-24-17)10-21(5)14-6-7-22(8-14)9-15-12(3)19-23-13(15)4/h11,14H,6-10H2,1-5H3
InChIKeyGCUWQPSRRFHAKE-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.50
Rot. Bonds6

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 71872687) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID71872687
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1noc(C)c1CN1CCC(N(C)Cc2noc(C(C)C)n2)C1
InChIInChI=1S/C17H27N5O2/c1-11(2)17-18-16(20-24-17)10-21(5)14-6-7-22(8-14)9-15-12(3)19-23-13(15)4/h11,14H,6-10H2,1-5H3
InChIKeyGCUWQPSRRFHAKE-UHFFFAOYSA-N
XLogP2.50
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 71872687) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is Cc1noc(C)c1CN1CCC(N(C)Cc2noc(C(C)C)n2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is GCUWQPSRRFHAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)17-18-16(20-24-17)10-21(5)14-6-7-22(8-14)9-15-12(3)19-23-13(15)4/h11,14H,6-10H2,1-5H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 333.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71872687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).