2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide

C17H27N3O3 — CID 53195520

IUPAC2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide
SMILESCc1oc(CNC(=O)C(C)(C)C)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H27N3O3/c1-11-6-8-20(9-7-11)15(21)14-12(2)23-13(19-14)10-18-16(22)17(3,4)5/h11H,6-10H2,1-5H3,(H,18,22)
InChIKeyBDLFPYHULUSZMD-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.52
Rot. Bonds3

About 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide

2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide (PubChem CID 53195520) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide
PubChem CID53195520
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide
SMILESCc1oc(CNC(=O)C(C)(C)C)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H27N3O3/c1-11-6-8-20(9-7-11)15(21)14-12(2)23-13(19-14)10-18-16(22)17(3,4)5/h11H,6-10H2,1-5H3,(H,18,22)
InChIKeyBDLFPYHULUSZMD-UHFFFAOYSA-N
XLogP2.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide (CID 53195520) is 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide is Cc1oc(CNC(=O)C(C)(C)C)nc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide?
The InChIKey is BDLFPYHULUSZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-6-8-20(9-7-11)15(21)14-12(2)23-13(19-14)10-18-16(22)17(3,4)5/h11H,6-10H2,1-5H3,(H,18,22).
What are the key properties of 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide?
2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide has a molecular weight of 321.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]propanamide is sourced from PubChem (CID 53195520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).