N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C22H18ClFN4O2 — CID 47026269

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NC(c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C22H18ClFN4O2/c1-13-18(19(27-30-13)14-5-9-17(24)10-6-14)22(29)26-20(21-25-11-12-28(21)2)15-3-7-16(23)8-4-15/h3-12,20H,1-2H3,(H,26,29)
InChIKeyMYUFBHZIIFMBNO-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.70
Rot. Bonds5

About N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 47026269) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID47026269
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NC(c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C22H18ClFN4O2/c1-13-18(19(27-30-13)14-5-9-17(24)10-6-14)22(29)26-20(21-25-11-12-28(21)2)15-3-7-16(23)8-4-15/h3-12,20H,1-2H3,(H,26,29)
InChIKeyMYUFBHZIIFMBNO-UHFFFAOYSA-N
XLogP4.70
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134047981
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
(E)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9247948
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 45355242
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
4-(2,5-dimethylpyrrol-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51532954

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 47026269) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)NC(c1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MYUFBHZIIFMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-13-18(19(27-30-13)14-5-9-17(24)10-6-14)22(29)26-20(21-25-11-12-28(21)2)15-3-7-16(23)8-4-15/h3-12,20H,1-2H3,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 424.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47026269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).