4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide

C22H25N5O3 — CID 140933942

IUPAC4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)/C1=N/O
InChIInChI=1S/C22H25N5O3/c1-22(2)20(25-29)19(26-30-22)15-8-10-16(11-9-15)21(28)27(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h3-4,7-11,13,17,23,29H,5-6,12,14H2,1-2H3/b25-20-
InChIKeySZPPNJUBJDSHMH-QQTULTPQSA-N
MW407.47 g/mol
LogP2.82
Rot. Bonds4

About 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide

4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide (PubChem CID 140933942) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
PubChem CID140933942
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)/C1=N/O
InChIInChI=1S/C22H25N5O3/c1-22(2)20(25-29)19(26-30-22)15-8-10-16(11-9-15)21(28)27(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h3-4,7-11,13,17,23,29H,5-6,12,14H2,1-2H3/b25-20-
InChIKeySZPPNJUBJDSHMH-QQTULTPQSA-N
XLogP2.82
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
CID 172973603
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 140933909
N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933927
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
CID 140934009
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933923
4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 172533416
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016
N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532265
N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 172532418
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl(piperidin-3-yl)amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 158405797
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;3-chloro-4-ethylpyridine;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
CID 159598674
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide (CID 140933942) is 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide is CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)/C1=N/O.
What is the InChIKey of 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The InChIKey is SZPPNJUBJDSHMH-QQTULTPQSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2)20(25-29)19(26-30-22)15-8-10-16(11-9-15)21(28)27(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h3-4,7-11,13,17,23,29H,5-6,12,14H2,1-2H3/b25-20-.
What are the key properties of 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide has a molecular weight of 407.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 140933942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).