N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide

C23H24F2N2O3 — CID 58319266

IUPACN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C(C)C)cc1-c1nc(C(=O)N[C@H](C)c2cc(F)c(C)c(F)c2)co1
InChIInChI=1S/C23H24F2N2O3/c1-12(2)15-6-7-21(29-5)17(8-15)23-27-20(11-30-23)22(28)26-14(4)16-9-18(24)13(3)19(25)10-16/h6-12,14H,1-5H3,(H,26,28)/t14-/m1/s1
InChIKeyNSQPLODHKNTNBV-CQSZACIVSA-N
MW414.45 g/mol
LogP5.55
Rot. Bonds6

About N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 58319266) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID58319266
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C(C)C)cc1-c1nc(C(=O)N[C@H](C)c2cc(F)c(C)c(F)c2)co1
InChIInChI=1S/C23H24F2N2O3/c1-12(2)15-6-7-21(29-5)17(8-15)23-27-20(11-30-23)22(28)26-14(4)16-9-18(24)13(3)19(25)10-16/h6-12,14H,1-5H3,(H,26,28)/t14-/m1/s1
InChIKeyNSQPLODHKNTNBV-CQSZACIVSA-N
XLogP5.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 58319204
N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 76759521
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 58319177
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90863373
2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 58319241
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide
CID 58319196
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 67237818
2-(2-butoxyphenyl)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 70924562
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-nitrophenoxy)-1,3-oxazole-4-carboxamide
CID 58319260
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 25103537

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide (CID 58319266) is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(C(C)C)cc1-c1nc(C(=O)N[C@H](C)c2cc(F)c(C)c(F)c2)co1.
What is the InChIKey of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NSQPLODHKNTNBV-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c1-12(2)15-6-7-21(29-5)17(8-15)23-27-20(11-30-23)22(28)26-14(4)16-9-18(24)13(3)19(25)10-16/h6-12,14H,1-5H3,(H,26,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide?
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58319266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).