(4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17F3N2O3 — CID 139218990

IUPAC(4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2ON=C(c3ccc(C(F)(F)F)cc3)[C@H]2C)cc1
InChIInChI=1S/C19H17F3N2O3/c1-11-16(12-3-5-13(6-4-12)19(20,21)22)24-27-17(11)18(25)23-14-7-9-15(26-2)10-8-14/h3-11,17H,1-2H3,(H,23,25)/t11-,17-/m1/s1
InChIKeyCRMNTGQGJXJTKZ-PIGZYNQJSA-N
MW378.35 g/mol
LogP4.09
Rot. Bonds4

About (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 139218990) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID139218990
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name(4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2ON=C(c3ccc(C(F)(F)F)cc3)[C@H]2C)cc1
InChIInChI=1S/C19H17F3N2O3/c1-11-16(12-3-5-13(6-4-12)19(20,21)22)24-27-17(11)18(25)23-14-7-9-15(26-2)10-8-14/h3-11,17H,1-2H3,(H,23,25)/t11-,17-/m1/s1
InChIKeyCRMNTGQGJXJTKZ-PIGZYNQJSA-N
XLogP4.09
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
CID 13135700
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(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
N-(4-bromophenyl)-3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-4-carboxamide
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(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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CID 29089716
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2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
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N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 139218990) is (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(NC(=O)[C@@H]2ON=C(c3ccc(C(F)(F)F)cc3)[C@H]2C)cc1.
What is the InChIKey of (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CRMNTGQGJXJTKZ-PIGZYNQJSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-11-16(12-3-5-13(6-4-12)19(20,21)22)24-27-17(11)18(25)23-14-7-9-15(26-2)10-8-14/h3-11,17H,1-2H3,(H,23,25)/t11-,17-/m1/s1.
What are the key properties of (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N-(4-methoxyphenyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 139218990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).