3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide

C17H21N5O3 — CID 167918170

IUPAC3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1c1cncn1C
InChIInChI=1S/C17H21N5O3/c1-21-9-18-8-13(21)16-11(5-6-15(23)22(16)2)19-17(24)14-7-12(20-25-14)10-3-4-10/h7-11,16H,3-6H2,1-2H3,(H,19,24)/t11-,16-/m1/s1
InChIKeyRIGUEIFHEXIJAH-BDJLRTHQSA-N
MW343.39 g/mol
LogP1.38
Rot. Bonds4

About 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 167918170) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID167918170
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1c1cncn1C
InChIInChI=1S/C17H21N5O3/c1-21-9-18-8-13(21)16-11(5-6-15(23)22(16)2)19-17(24)14-7-12(20-25-14)10-3-4-10/h7-11,16H,3-6H2,1-2H3,(H,19,24)/t11-,16-/m1/s1
InChIKeyRIGUEIFHEXIJAH-BDJLRTHQSA-N
XLogP1.38
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 128989245
N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide
CID 128983960
3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 128985054
N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide
CID 128988847
(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one
CID 167900159
N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide
CID 154736245
4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid
CID 66117906
3-cyclopropyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-5-carboxamide
CID 119037715
3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
CID 129329403
3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 131935565
N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide
CID 167934289
N-[1-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)azetidin-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 154794350

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 167918170) is 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide is CN1C(=O)CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1c1cncn1C.
What is the InChIKey of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is RIGUEIFHEXIJAH-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-9-18-8-13(21)16-11(5-6-15(23)22(16)2)19-17(24)14-7-12(20-25-14)10-3-4-10/h7-11,16H,3-6H2,1-2H3,(H,19,24)/t11-,16-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).