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

C17H27N3O2 — CID 122556200

IUPACN-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCC(C)c1cc(CNC(=O)C2(N3CCCC3)CCCC2)no1
InChIInChI=1S/C17H27N3O2/c1-13(2)15-11-14(19-22-15)12-18-16(21)17(7-3-4-8-17)20-9-5-6-10-20/h11,13H,3-10,12H2,1-2H3,(H,18,21)
InChIKeyFFJVERGREBLNRE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.82
Rot. Bonds5

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

N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 122556200) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID122556200
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCC(C)c1cc(CNC(=O)C2(N3CCCC3)CCCC2)no1
InChIInChI=1S/C17H27N3O2/c1-13(2)15-11-14(19-22-15)12-18-16(21)17(7-3-4-8-17)20-9-5-6-10-20/h11,13H,3-10,12H2,1-2H3,(H,18,21)
InChIKeyFFJVERGREBLNRE-UHFFFAOYSA-N
XLogP2.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 118780237
2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide
CID 122562953
3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 46991432
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91766329
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91836336
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
1-piperidin-1-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclohexane-1-carboxamide
CID 50977682
N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131897762
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91954371
2-amino-4-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 91778983
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
CID 61335876

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 122556200) is N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is CC(C)c1cc(CNC(=O)C2(N3CCCC3)CCCC2)no1.
What is the InChIKey of N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is FFJVERGREBLNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)15-11-14(19-22-15)12-18-16(21)17(7-3-4-8-17)20-9-5-6-10-20/h11,13H,3-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 122556200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).