(4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide

C13H21N3O3 — CID 70865355

IUPAC(4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2C[C@@H](O)CCN2)no1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)10-7-11(16-19-10)15-12(18)9-6-8(17)4-5-14-9/h7-9,14,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9?/m0/s1
InChIKeyAOFKDKKHJVMEJV-IENPIDJESA-N
MW267.33 g/mol
LogP1.02
Rot. Bonds2

About (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide

(4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide (PubChem CID 70865355) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide.

Molecular Properties

Compound Name(4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide
PubChem CID70865355
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2C[C@@H](O)CCN2)no1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)10-7-11(16-19-10)15-12(18)9-6-8(17)4-5-14-9/h7-9,14,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9?/m0/s1
InChIKeyAOFKDKKHJVMEJV-IENPIDJESA-N
XLogP1.02
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 67953890
(1R,2S,3R,4R)-3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124763908
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 18071476
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
CID 70864988
CID 58990227
CID 58990227
4-methyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114423957
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58563745
(1R,2R,3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100741524
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide?
The IUPAC name of (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide (CID 70865355) is (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide.
What is the SMILES notation for (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide?
The canonical SMILES for (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)C2C[C@@H](O)CCN2)no1.
What is the InChIKey of (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide?
The InChIKey is AOFKDKKHJVMEJV-IENPIDJESA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)10-7-11(16-19-10)15-12(18)9-6-8(17)4-5-14-9/h7-9,14,17H,4-6H2,1-3H3,(H,15,16,18)/t8-,9?/m0/s1.
What are the key properties of (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide?
(4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide is sourced from PubChem (CID 70865355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).