N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

C16H25N3O3 — CID 128529141

IUPACN-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)o1
InChIInChI=1S/C16H25N3O3/c1-6-12-17-9(2)13(22-12)15(21)18-10-7-8-11(20)19-14(10)16(3,4)5/h10,14H,6-8H2,1-5H3,(H,18,21)(H,19,20)/t10-,14-/m1/s1
InChIKeyLZYJGGIUBXSYOI-QMTHXVAHSA-N
MW307.39 g/mol
LogP1.97
Rot. Bonds3

About N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 128529141) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID128529141
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)o1
InChIInChI=1S/C16H25N3O3/c1-6-12-17-9(2)13(22-12)15(21)18-10-7-8-11(20)19-14(10)16(3,4)5/h10,14H,6-8H2,1-5H3,(H,18,21)(H,19,20)/t10-,14-/m1/s1
InChIKeyLZYJGGIUBXSYOI-QMTHXVAHSA-N
XLogP1.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide
CID 125462160
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 125144382
2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 165426413
N-[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 133265710
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 126799361
2-ethyl-4-methyl-N-(oxolan-3-ylsulfonyl)-1,3-oxazole-5-carboxamide
CID 154789759
1-[[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122014204
(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one
CID 136582015
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate
CID 50971554
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
N-[(3S,5R)-1-(5-chloro-3-fluoro-2-pyridinyl)-5-hydroxypiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166616756

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (CID 128529141) is N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)o1.
What is the InChIKey of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is LZYJGGIUBXSYOI-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-6-12-17-9(2)13(22-12)15(21)18-10-7-8-11(20)19-14(10)16(3,4)5/h10,14H,6-8H2,1-5H3,(H,18,21)(H,19,20)/t10-,14-/m1/s1.
What are the key properties of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 128529141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).