N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide

C16H19N3O3 — CID 95977615

IUPACN'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide
SMILESCC[C@H](C(=O)NNC(=O)c1ccccc1)c1c(C)noc1C
InChIInChI=1S/C16H19N3O3/c1-4-13(14-10(2)19-22-11(14)3)16(21)18-17-15(20)12-8-6-5-7-9-12/h5-9,13H,4H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyAYCVUDUGIMVWHE-ZDUSSCGKSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds4

About N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide

N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide (PubChem CID 95977615) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide
PubChem CID95977615
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide
SMILESCC[C@H](C(=O)NNC(=O)c1ccccc1)c1c(C)noc1C
InChIInChI=1S/C16H19N3O3/c1-4-13(14-10(2)19-22-11(14)3)16(21)18-17-15(20)12-8-6-5-7-9-12/h5-9,13H,4H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyAYCVUDUGIMVWHE-ZDUSSCGKSA-N
XLogP2.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-1,2-oxazol-3-yl)butanamide
CID 132970595
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]butanamide
CID 95285859
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide
CID 52510455
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
CID 138004605
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-nitrophenyl)butanamide
CID 95977922
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
CID 79231664
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
CID 154739095
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide (CID 95977615) is N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide is CC[C@H](C(=O)NNC(=O)c1ccccc1)c1c(C)noc1C.
What is the InChIKey of N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide?
The InChIKey is AYCVUDUGIMVWHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-13(14-10(2)19-22-11(14)3)16(21)18-17-15(20)12-8-6-5-7-9-12/h5-9,13H,4H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1.
What are the key properties of N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide?
N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide has a molecular weight of 301.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 95977615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).