[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone

C23H13Cl3N4O2 — CID 91341630

IUPAC[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1nc(-c2cncnc2)co1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H13Cl3N4O2/c24-15-6-5-13(17(25)7-15)10-30-19-4-2-1-3-16(19)20(22(30)26)21(31)23-29-18(11-32-23)14-8-27-12-28-9-14/h1-9,11-12H,10H2
InChIKeyCHXPQZWIEHAYFW-UHFFFAOYSA-N
MW483.74 g/mol
LogP6.33
Rot. Bonds5

About [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone

[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone (PubChem CID 91341630) has the molecular formula C23H13Cl3N4O2 and a molecular weight of 483.74 g/mol. Its IUPAC name is [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone
PubChem CID91341630
Molecular FormulaC23H13Cl3N4O2
Molecular Weight483.74 g/mol
Exact Mass482.01
IUPAC Name[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1nc(-c2cncnc2)co1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H13Cl3N4O2/c24-15-6-5-13(17(25)7-15)10-30-19-4-2-1-3-16(19)20(22(30)26)21(31)23-29-18(11-32-23)14-8-27-12-28-9-14/h1-9,11-12H,10H2
InChIKeyCHXPQZWIEHAYFW-UHFFFAOYSA-N
XLogP6.33
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67243796
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-hydroxyindol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67245119
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67245188
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-3-yl-1,3-oxazol-2-yl)methanone
CID 67243935
[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67242804
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 67242735
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(2-pyridin-4-yl-1,3-oxazol-5-yl)methanone
CID 67247241
[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67242507
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methylindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243396
[1-chloro-2-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 140541150
2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 87660617
[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 87323012

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone (CID 91341630) is [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone is O=C(c1nc(-c2cncnc2)co1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is CHXPQZWIEHAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3N4O2/c24-15-6-5-13(17(25)7-15)10-30-19-4-2-1-3-16(19)20(22(30)26)21(31)23-29-18(11-32-23)14-8-27-12-28-9-14/h1-9,11-12H,10H2.
What are the key properties of [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone?
[2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 483.74 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(4-pyrimidin-5-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 91341630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).