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

C18H29N3O2 — CID 71928331

IUPACN-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CC2CCC2)C1
InChIInChI=1S/C18H29N3O2/c1-13(2)17-9-19-18(23-17)12-21(14(3)22)16-7-8-20(11-16)10-15-5-4-6-15/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyRTFDVMNZJSLGQK-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.02
Rot. Bonds6

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

N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71928331) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71928331
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CC2CCC2)C1
InChIInChI=1S/C18H29N3O2/c1-13(2)17-9-19-18(23-17)12-21(14(3)22)16-7-8-20(11-16)10-15-5-4-6-15/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyRTFDVMNZJSLGQK-UHFFFAOYSA-N
XLogP3.02
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
(S)-(1-((5-(tert-Butyl)oxazol-2-yl)methyl)pyrrolidin-2-yl)methanol
CID 53574116
1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53596257
5-Tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole
CID 56684365
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71871791
N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872492
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-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 71895082
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide
CID 71927170
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1-propylpyrrolidin-3-yl)acetamide
CID 71928352

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (CID 71928331) is N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-(cyclobutylmethyl)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(CC2CCC2)C1.
What is the InChIKey of N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is RTFDVMNZJSLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)17-9-19-18(23-17)12-21(14(3)22)16-7-8-20(11-16)10-15-5-4-6-15/h9,13,15-16H,4-8,10-12H2,1-3H3.
What are the key properties of N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71928331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).