N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide

C24H18F4N4O2 — CID 68726718

IUPACN-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
SMILESO=C(NCC1CC1)c1ccc(-c2ncc(-c3c(-c4ccc(F)cc4)noc3C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C24H18F4N4O2/c25-17-9-7-14(8-10-17)20-19(21(34-32-20)24(26,27)28)18-12-29-22(31-18)15-3-5-16(6-4-15)23(33)30-11-13-1-2-13/h3-10,12-13H,1-2,11H2,(H,29,31)(H,30,33)
InChIKeyDTARQQSKNPUWQP-UHFFFAOYSA-N
MW470.43 g/mol
LogP5.70
Rot. Bonds6

About N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide

N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide (PubChem CID 68726718) has the molecular formula C24H18F4N4O2 and a molecular weight of 470.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
PubChem CID68726718
Molecular FormulaC24H18F4N4O2
Molecular Weight470.43 g/mol
Exact Mass470.14
IUPAC NameN-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
SMILESO=C(NCC1CC1)c1ccc(-c2ncc(-c3c(-c4ccc(F)cc4)noc3C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C24H18F4N4O2/c25-17-9-7-14(8-10-17)20-19(21(34-32-20)24(26,27)28)18-12-29-22(31-18)15-3-5-16(6-4-15)23(33)30-11-13-1-2-13/h3-10,12-13H,1-2,11H2,(H,29,31)(H,30,33)
InChIKeyDTARQQSKNPUWQP-UHFFFAOYSA-N
XLogP5.70
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.43
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide
CID 68724499
4-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
CID 46089481
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
N-(cyclopropylmethyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 146461232
N-[[2-(4-fluorophenyl)-4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-7-yl]methyl]-6-methylpyridine-3-carboxamide
CID 146066370
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
N-(cyclopentylmethyl)-4-(1,2,4-oxadiazol-5-yl)benzamide
CID 167943425
N-[[(3S)-piperidin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99776061
N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 11278969
N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide
CID 23906657

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide (CID 68726718) is N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide is O=C(NCC1CC1)c1ccc(-c2ncc(-c3c(-c4ccc(F)cc4)noc3C(F)(F)F)[nH]2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
The InChIKey is DTARQQSKNPUWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O2/c25-17-9-7-14(8-10-17)20-19(21(34-32-20)24(26,27)28)18-12-29-22(31-18)15-3-5-16(6-4-15)23(33)30-11-13-1-2-13/h3-10,12-13H,1-2,11H2,(H,29,31)(H,30,33).
What are the key properties of N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide?
N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide has a molecular weight of 470.43 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[5-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 68726718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).