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

C18H27N5O2 — CID 71872526

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCCc2cnn(C)c2)C1
InChIInChI=1S/C18H27N5O2/c1-14-9-19-18(25-14)13-23(15(2)24)17-6-8-22(12-17)7-4-5-16-10-20-21(3)11-16/h9-11,17H,4-8,12-13H2,1-3H3
InChIKeyBMQDSVIDZZKOLI-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.77
Rot. Bonds7

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872526) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide
PubChem CID71872526
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCCc2cnn(C)c2)C1
InChIInChI=1S/C18H27N5O2/c1-14-9-19-18(25-14)13-23(15(2)24)17-6-8-22(12-17)7-4-5-16-10-20-21(3)11-16/h9-11,17H,4-8,12-13H2,1-3H3
InChIKeyBMQDSVIDZZKOLI-UHFFFAOYSA-N
XLogP1.77
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide (CID 71872526) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(CCCc2cnn(C)c2)C1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide?
The InChIKey is BMQDSVIDZZKOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-9-19-18(25-14)13-23(15(2)24)17-6-8-22(12-17)7-4-5-16-10-20-21(3)11-16/h9-11,17H,4-8,12-13H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).