2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide

C19H17F2N3O3 — CID 5237705

IUPAC2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccc(O)cc1)c1nc(C(=O)NCc2ccc(F)c(F)c2)co1
InChIInChI=1S/C19H17F2N3O3/c20-14-6-3-12(7-15(14)21)9-23-18(26)17-10-27-19(24-17)16(22)8-11-1-4-13(25)5-2-11/h1-7,10,16,25H,8-9,22H2,(H,23,26)
InChIKeyHKQZCHLJGXMVMJ-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.83
Rot. Bonds6

About 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 5237705) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID5237705
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccc(O)cc1)c1nc(C(=O)NCc2ccc(F)c(F)c2)co1
InChIInChI=1S/C19H17F2N3O3/c20-14-6-3-12(7-15(14)21)9-23-18(26)17-10-27-19(24-17)16(22)8-11-1-4-13(25)5-2-11/h1-7,10,16,25H,8-9,22H2,(H,23,26)
InChIKeyHKQZCHLJGXMVMJ-UHFFFAOYSA-N
XLogP2.83
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 3866332
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[3-(dibutylamino)propyl]-1,3-oxazole-4-carboxamide
CID 3833731
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3494554
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833207
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3671354
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2-oxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 3868117
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 5237705) is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is NC(Cc1ccc(O)cc1)c1nc(C(=O)NCc2ccc(F)c(F)c2)co1.
What is the InChIKey of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HKQZCHLJGXMVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c20-14-6-3-12(7-15(14)21)9-23-18(26)17-10-27-19(24-17)16(22)8-11-1-4-13(25)5-2-11/h1-7,10,16,25H,8-9,22H2,(H,23,26).
What are the key properties of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5237705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).