2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide

C22H21Cl2N5O3 — CID 71727666

IUPAC2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(Cl)cccc2Cl)oc1Nc1ccc(C(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C22H21Cl2N5O3/c23-15-4-1-5-16(24)17(15)21-29-18(19(25)30)22(32-21)28-13-8-6-12(7-9-13)20(31)27-14-3-2-10-26-11-14/h1,4-9,14,26,28H,2-3,10-11H2,(H2,25,30)(H,27,31)/t14-/m0/s1
InChIKeyOLKSZFBBMNHFRV-AWEZNQCLSA-N
MW474.35 g/mol
LogP3.97
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide

2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide (PubChem CID 71727666) has the molecular formula C22H21Cl2N5O3 and a molecular weight of 474.35 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
PubChem CID71727666
Molecular FormulaC22H21Cl2N5O3
Molecular Weight474.35 g/mol
Exact Mass473.10
IUPAC Name2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(Cl)cccc2Cl)oc1Nc1ccc(C(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C22H21Cl2N5O3/c23-15-4-1-5-16(24)17(15)21-29-18(19(25)30)22(32-21)28-13-8-6-12(7-9-13)20(31)27-14-3-2-10-26-11-14/h1,4-9,14,26,28H,2-3,10-11H2,(H2,25,30)(H,27,31)/t14-/m0/s1
InChIKeyOLKSZFBBMNHFRV-AWEZNQCLSA-N
XLogP3.97
TPSA122.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.35
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide
CID 167560687
2-(2,6-difluorophenyl)-5-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide
CID 59587374
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 147644204
5-[4-(aminomethyl)anilino]-2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;pyrrolidine
CID 142331047
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 141370485
N-piperidin-3-ylbenzamide
CID 22017045
4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107364
2-(2,6-dimethylphenyl)-5-(4-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587513
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide (CID 71727666) is 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(Cl)cccc2Cl)oc1Nc1ccc(C(=O)N[C@H]2CCCNC2)cc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is OLKSZFBBMNHFRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21Cl2N5O3/c23-15-4-1-5-16(24)17(15)21-29-18(19(25)30)22(32-21)28-13-8-6-12(7-9-13)20(31)27-14-3-2-10-26-11-14/h1,4-9,14,26,28H,2-3,10-11H2,(H2,25,30)(H,27,31)/t14-/m0/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 474.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71727666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).