2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide

C18H29N3O3 — CID 95292316

IUPAC2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide
SMILESCc1noc(C(C)C)c1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-11(2)16-15(13(5)20-24-16)18(23)21-8-6-7-14(10-21)9-19-17(22)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyDJXBXUPDTVOUEM-AWEZNQCLSA-N
MW335.45 g/mol
LogP2.73
Rot. Bonds5

About 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide

2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide (PubChem CID 95292316) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide
PubChem CID95292316
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide
SMILESCc1noc(C(C)C)c1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-11(2)16-15(13(5)20-24-16)18(23)21-8-6-7-14(10-21)9-19-17(22)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyDJXBXUPDTVOUEM-AWEZNQCLSA-N
XLogP2.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide (CID 95292316) is 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide is Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is DJXBXUPDTVOUEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-11(2)16-15(13(5)20-24-16)18(23)21-8-6-7-14(10-21)9-19-17(22)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide?
2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 95292316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).