4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide

C17H27N3O3 — CID 156603934

IUPAC4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CN(C2CCOCC2)CC1C(C)C
InChIInChI=1S/C17H27N3O3/c1-11(2)14-8-20(13-4-6-22-7-5-13)9-15(14)19-17(21)16-12(3)18-10-23-16/h10-11,13-15H,4-9H2,1-3H3,(H,19,21)
InChIKeyYWTSSDOBYJNZOM-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.85
Rot. Bonds4

About 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide

4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 156603934) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID156603934
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CN(C2CCOCC2)CC1C(C)C
InChIInChI=1S/C17H27N3O3/c1-11(2)14-8-20(13-4-6-22-7-5-13)9-15(14)19-17(21)16-12(3)18-10-23-16/h10-11,13-15H,4-9H2,1-3H3,(H,19,21)
InChIKeyYWTSSDOBYJNZOM-UHFFFAOYSA-N
XLogP1.85
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (CID 156603934) is 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CN(C2CCOCC2)CC1C(C)C.
What is the InChIKey of 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is YWTSSDOBYJNZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11(2)14-8-20(13-4-6-22-7-5-13)9-15(14)19-17(21)16-12(3)18-10-23-16/h10-11,13-15H,4-9H2,1-3H3,(H,19,21).
What are the key properties of 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 156603934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).