(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide

C18H31N3O2 — CID 124816071

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)NCCCCN1CCCC[C@H]1C
InChIInChI=1S/C18H31N3O2/c1-13-9-5-7-11-21(13)12-8-6-10-19-18(22)14(2)17-15(3)20-23-16(17)4/h13-14H,5-12H2,1-4H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyREHZAXUZVBMPGG-KGLIPLIRSA-N
MW321.47 g/mol
LogP3.17
Rot. Bonds7

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide (PubChem CID 124816071) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide
PubChem CID124816071
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)NCCCCN1CCCC[C@H]1C
InChIInChI=1S/C18H31N3O2/c1-13-9-5-7-11-21(13)12-8-6-10-19-18(22)14(2)17-15(3)20-23-16(17)4/h13-14H,5-12H2,1-4H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyREHZAXUZVBMPGG-KGLIPLIRSA-N
XLogP3.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51112115
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111464175
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20929284
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
2-methyl-N-[2-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111371125
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide (CID 124816071) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide is Cc1noc(C)c1[C@H](C)C(=O)NCCCCN1CCCC[C@H]1C.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide?
The InChIKey is REHZAXUZVBMPGG-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13-9-5-7-11-21(13)12-8-6-10-19-18(22)14(2)17-15(3)20-23-16(17)4/h13-14H,5-12H2,1-4H3,(H,19,22)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide has a molecular weight of 321.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide is sourced from PubChem (CID 124816071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).