N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide

C16H24N4O2 — CID 71872492

IUPACN-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CCC#N)C1
InChIInChI=1S/C16H24N4O2/c1-12(2)15-9-18-16(22-15)11-20(13(3)21)14-5-8-19(10-14)7-4-6-17/h9,12,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyDPTFFNOCNKGZRK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds6

About N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide

N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71872492) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71872492
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CCC#N)C1
InChIInChI=1S/C16H24N4O2/c1-12(2)15-9-18-16(22-15)11-20(13(3)21)14-5-8-19(10-14)7-4-6-17/h9,12,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyDPTFFNOCNKGZRK-UHFFFAOYSA-N
XLogP2.13
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53596257
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71871791
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872509
N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71872540
1-[4-[[3-[(5-Ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 71872557
N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928331
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1-propylpyrrolidin-3-yl)acetamide
CID 71928352
1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928382
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 71928387
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (CID 71872492) is N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CCC#N)C1.
What is the InChIKey of N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is DPTFFNOCNKGZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)15-9-18-16(22-15)11-20(13(3)21)14-5-8-19(10-14)7-4-6-17/h9,12,14H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71872492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).