2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide

C16H27N3O2 — CID 56722115

IUPAC2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCN(CC(C)C)C2)o1
InChIInChI=1S/C16H27N3O2/c1-5-14-18-12(4)15(21-14)16(20)17-8-13-6-7-19(10-13)9-11(2)3/h11,13H,5-10H2,1-4H3,(H,17,20)
InChIKeyDHNZAXJRQOKIHH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.25
Rot. Bonds6

About 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 56722115) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID56722115
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CCN(CC(C)C)C2)o1
InChIInChI=1S/C16H27N3O2/c1-5-14-18-12(4)15(21-14)16(20)17-8-13-6-7-19(10-13)9-11(2)3/h11,13H,5-10H2,1-4H3,(H,17,20)
InChIKeyDHNZAXJRQOKIHH-UHFFFAOYSA-N
XLogP2.25
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.25
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-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (CID 56722115) is 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCC2CCN(CC(C)C)C2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is DHNZAXJRQOKIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-14-18-12(4)15(21-14)16(20)17-8-13-6-7-19(10-13)9-11(2)3/h11,13H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.25, 6 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-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 56722115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).