N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

C17H21ClN4O2 — CID 71927172

IUPACN-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2ccncc2Cl)C1
InChIInChI=1S/C17H21ClN4O2/c1-12-7-20-17(24-12)11-22(13(2)23)15-4-6-21(10-15)9-14-3-5-19-8-16(14)18/h3,5,7-8,15H,4,6,9-11H2,1-2H3
InChIKeyDONLOMHDNODDDT-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71927172) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71927172
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2ccncc2Cl)C1
InChIInChI=1S/C17H21ClN4O2/c1-12-7-20-17(24-12)11-22(13(2)23)15-4-6-21(10-15)9-14-3-5-19-8-16(14)18/h3,5,7-8,15H,4,6,9-11H2,1-2H3
InChIKeyDONLOMHDNODDDT-UHFFFAOYSA-N
XLogP2.65
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 71927172) is N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2ccncc2Cl)C1.
What is the InChIKey of N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is DONLOMHDNODDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-12-7-20-17(24-12)11-22(13(2)23)15-4-6-21(10-15)9-14-3-5-19-8-16(14)18/h3,5,7-8,15H,4,6,9-11H2,1-2H3.
What are the key properties of N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71927172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).