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5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C20H29N3O4 — CID 160514450

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)C[C@@H]2C)OC1
InChIInChI=1S/C20H29N3O4/c1-12-3-6-17(26-11-12)20(25)23-8-7-15(9-13(23)2)21-19(24)16-10-18(27-22-16)14-4-5-14/h10,12-15,17H,3-9,11H2,1-2H3,(H,21,24)/t12-,13-,15?,17+/m0/s1
InChIKeyXNVKGUKGOPVTDM-ZDDKUJFSSA-N
MW375.47 g/mol
LogP2.48
Rot. Bonds4

About 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 160514450) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID160514450
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)C[C@@H]2C)OC1
InChIInChI=1S/C20H29N3O4/c1-12-3-6-17(26-11-12)20(25)23-8-7-15(9-13(23)2)21-19(24)16-10-18(27-22-16)14-4-5-14/h10,12-15,17H,3-9,11H2,1-2H3,(H,21,24)/t12-,13-,15?,17+/m0/s1
InChIKeyXNVKGUKGOPVTDM-ZDDKUJFSSA-N
XLogP2.48
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 160514450) is 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is C[C@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)C[C@@H]2C)OC1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is XNVKGUKGOPVTDM-ZDDKUJFSSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-12-3-6-17(26-11-12)20(25)23-8-7-15(9-13(23)2)21-19(24)16-10-18(27-22-16)14-4-5-14/h10,12-15,17H,3-9,11H2,1-2H3,(H,21,24)/t12-,13-,15?,17+/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160514450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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