5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium

C17H17ClFN2O2Y- — CID 59124225

IUPAC5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium
SMILESCc1noc(-c2c(F)cccc2Cl)c1C(=O)NC1C[CH-]CCC1.[Y]
InChIInChI=1S/C17H17ClFN2O2.Y/c1-10-14(17(22)20-11-6-3-2-4-7-11)16(23-21-10)15-12(18)8-5-9-13(15)19;/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,20,22);/q-1;
InChIKeyPYXIRVRWBFPUBV-UHFFFAOYSA-N
MW424.69 g/mol
LogP4.32
Rot. Bonds3

About 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium

5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium (PubChem CID 59124225) has the molecular formula C17H17ClFN2O2Y- and a molecular weight of 424.69 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium
PubChem CID59124225
Molecular FormulaC17H17ClFN2O2Y-
Molecular Weight424.69 g/mol
Exact Mass424.00
IUPAC Name5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium
SMILESCc1noc(-c2c(F)cccc2Cl)c1C(=O)NC1C[CH-]CCC1.[Y]
InChIInChI=1S/C17H17ClFN2O2.Y/c1-10-14(17(22)20-11-6-3-2-4-7-11)16(23-21-10)15-12(18)8-5-9-13(15)19;/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,20,22);/q-1;
InChIKeyPYXIRVRWBFPUBV-UHFFFAOYSA-N
XLogP4.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.69
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium(3+)
CID 20616881
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-cyclopentylthiourea
CID 9146997
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824
2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid
CID 139235662
3-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3508122
2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide
CID 108563065
methyl 2-[(1R,3S)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclohexyl]-2-phenylacetate
CID 91259639
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide
CID 120575010
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluorophenyl)-5-(ethylamino)-1,2-oxazole-4-carboxamide
CID 22713984
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium (CID 59124225) is 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium is Cc1noc(-c2c(F)cccc2Cl)c1C(=O)NC1C[CH-]CCC1.[Y].
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium?
The InChIKey is PYXIRVRWBFPUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN2O2.Y/c1-10-14(17(22)20-11-6-3-2-4-7-11)16(23-21-10)15-12(18)8-5-9-13(15)19;/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,20,22);/q-1;.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium?
5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium has a molecular weight of 424.69 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-N-cyclohexyl-3-methyl-1,2-oxazole-4-carboxamide;yttrium is sourced from PubChem (CID 59124225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).