N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide

C19H18Cl2N4O2 — CID 68613905

IUPACN-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(c2ncc(-c3ccc(Cl)c(Cl)c3)[nH]2)CC1)c1ccon1
InChIInChI=1S/C19H18Cl2N4O2/c20-14-6-3-12(9-15(14)21)17-10-22-18(24-17)11-1-4-13(5-2-11)23-19(26)16-7-8-27-25-16/h3,6-11,13H,1-2,4-5H2,(H,22,24)(H,23,26)
InChIKeyCWRPSMSLGXTWCU-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.83
Rot. Bonds4

About N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide

N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 68613905) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID68613905
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC NameN-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(c2ncc(-c3ccc(Cl)c(Cl)c3)[nH]2)CC1)c1ccon1
InChIInChI=1S/C19H18Cl2N4O2/c20-14-6-3-12(9-15(14)21)17-10-22-18(24-17)11-1-4-13(5-2-11)23-19(26)16-7-8-27-25-16/h3,6-11,13H,1-2,4-5H2,(H,22,24)(H,23,26)
InChIKeyCWRPSMSLGXTWCU-UHFFFAOYSA-N
XLogP4.83
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide (CID 68613905) is N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCC(c2ncc(-c3ccc(Cl)c(Cl)c3)[nH]2)CC1)c1ccon1.
What is the InChIKey of N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CWRPSMSLGXTWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c20-14-6-3-12(9-15(14)21)17-10-22-18(24-17)11-1-4-13(5-2-11)23-19(26)16-7-8-27-25-16/h3,6-11,13H,1-2,4-5H2,(H,22,24)(H,23,26).
What are the key properties of N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 405.29 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 68613905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).