2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide

C16H21N3O2 — CID 125447047

IUPAC2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H](CC)c2ncccc2C)o1
InChIInChI=1S/C16H21N3O2/c1-5-12(14-10(3)8-7-9-17-14)19-16(20)15-11(4)18-13(6-2)21-15/h7-9,12H,5-6H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeySLUNZKHIQSHKPS-GFCCVEGCSA-N
MW287.36 g/mol
LogP3.13
Rot. Bonds5

About 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide (PubChem CID 125447047) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
PubChem CID125447047
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H](CC)c2ncccc2C)o1
InChIInChI=1S/C16H21N3O2/c1-5-12(14-10(3)8-7-9-17-14)19-16(20)15-11(4)18-13(6-2)21-15/h7-9,12H,5-6H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeySLUNZKHIQSHKPS-GFCCVEGCSA-N
XLogP3.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide (CID 125447047) is 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@H](CC)c2ncccc2C)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
The InChIKey is SLUNZKHIQSHKPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-12(14-10(3)8-7-9-17-14)19-16(20)15-11(4)18-13(6-2)21-15/h7-9,12H,5-6H2,1-4H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 125447047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).