N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide

C17H24N4O2 — CID 119442680

IUPACN,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)N(C)C3CCNCC3)c2C)no1
InChIInChI=1S/C17H24N4O2/c1-11-9-15(13(3)21(11)16-10-12(2)23-19-16)17(22)20(4)14-5-7-18-8-6-14/h9-10,14,18H,5-8H2,1-4H3
InChIKeyDVUDECUBVNZNIF-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.21
Rot. Bonds3

About N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide

N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide (PubChem CID 119442680) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide
PubChem CID119442680
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)N(C)C3CCNCC3)c2C)no1
InChIInChI=1S/C17H24N4O2/c1-11-9-15(13(3)21(11)16-10-12(2)23-19-16)17(22)20(4)14-5-7-18-8-6-14/h9-10,14,18H,5-8H2,1-4H3
InChIKeyDVUDECUBVNZNIF-UHFFFAOYSA-N
XLogP2.21
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86921369
N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119444278
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
CID 119461980
N,2,5-trimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119554350
N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119553089
N-(1,3-benzodioxol-5-ylmethyl)-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30134507
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
CID 30091933
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
CID 119485066
N-ethyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide
CID 60805893
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490318
1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
CID 78882569

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide (CID 119442680) is N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)N(C)C3CCNCC3)c2C)no1.
What is the InChIKey of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide?
The InChIKey is DVUDECUBVNZNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-9-15(13(3)21(11)16-10-12(2)23-19-16)17(22)20(4)14-5-7-18-8-6-14/h9-10,14,18H,5-8H2,1-4H3.
What are the key properties of N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide?
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-piperidin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 119442680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).