5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide

C13H21N3O2 — CID 70779896

IUPAC5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-10(2)12-9-11(15-18-12)13(17)14-5-8-16-6-3-4-7-16/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyVMORMDVDBPWDKX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds5

About 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide

5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 70779896) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID70779896
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-10(2)12-9-11(15-18-12)13(17)14-5-8-16-6-3-4-7-16/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyVMORMDVDBPWDKX-UHFFFAOYSA-N
XLogP1.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244
3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 46991432
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-[2-(4-methylmorpholin-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56701471
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91954371
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732753
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56731507
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide (CID 70779896) is 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCCN2CCCC2)no1.
What is the InChIKey of 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VMORMDVDBPWDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)12-9-11(15-18-12)13(17)14-5-8-16-6-3-4-7-16/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70779896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).