1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide

C16H19N3O3 — CID 129367099

IUPAC1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C16H19N3O3/c17-15(20)12-6-8-19(9-7-12)16(21)14-10-13(18-22-14)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H2,17,20)/t14-/m1/s1
InChIKeyFLONIFBBNPZVBA-CQSZACIVSA-N
MW301.35 g/mol
LogP0.90
Rot. Bonds3

About 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide

1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 129367099) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID129367099
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C16H19N3O3/c17-15(20)12-6-8-19(9-7-12)16(21)14-10-13(18-22-14)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H2,17,20)/t14-/m1/s1
InChIKeyFLONIFBBNPZVBA-CQSZACIVSA-N
XLogP0.90
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 3158090
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 94808896
1-[(5R)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 1093598
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519981
4-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66085871
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
(2,5-difluorophenyl)-[1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone
CID 51123414
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 40503563
(4-benzhydrylpiperazin-1-yl)-[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 28855257
[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 99727422
1-[(3S)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperidine-4-carboxamide
CID 51980812
[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7260075

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide (CID 129367099) is 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1.
What is the InChIKey of 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is FLONIFBBNPZVBA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-15(20)12-6-8-19(9-7-12)16(21)14-10-13(18-22-14)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H2,17,20)/t14-/m1/s1.
What are the key properties of 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide?
1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 129367099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).