N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide

C18H19F3N2O4 — CID 90325836

IUPACN-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COC(c2ccccc2)C(F)(F)F)on1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)16(13-4-2-1-3-5-13)26-11-14-8-15(23-27-14)17(24)22-9-12-6-7-25-10-12/h1-5,8,12,16H,6-7,9-11H2,(H,22,24)
InChIKeySNWQDWZAQOHJRE-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.26
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide

N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 90325836) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID90325836
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COC(c2ccccc2)C(F)(F)F)on1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)16(13-4-2-1-3-5-13)26-11-14-8-15(23-27-14)17(24)22-9-12-6-7-25-10-12/h1-5,8,12,16H,6-7,9-11H2,(H,22,24)
InChIKeySNWQDWZAQOHJRE-UHFFFAOYSA-N
XLogP3.26
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-(4S,6S)-8-Methyl-6-((S)-3-methyl-2-((S)-2-((5-methyl-isoxazole-3-carbonyl)-amino)-propionylamino)-butyrylamino)-5-oxo-4-((R)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid benzyl ester
CID 6323191
ethyl (2E,4S)-4-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamido]propanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6476897
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962283
5-(4-fluorophenyl)-N-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3236843
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
ethyl (E,4S)-7-amino-4-[[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methylisoxazole-3-carbonyl)amino]butanoyl]oxy-propanoyl]amino]-7-oxo-hept-2-enoate
CID 6476893
ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methylisoxazole-3-carbonyl)amino]butanoyl]oxy-propanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6476896
benzyl (E,4S)-4-[[(2S)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-1-pyridyl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6478681

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide (CID 90325836) is N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COC(c2ccccc2)C(F)(F)F)on1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SNWQDWZAQOHJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c19-18(20,21)16(13-4-2-1-3-5-13)26-11-14-8-15(23-27-14)17(24)22-9-12-6-7-25-10-12/h1-5,8,12,16H,6-7,9-11H2,(H,22,24).
What are the key properties of N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).