N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide

C25H29N3O5 — CID 134397906

IUPACN-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(OC(C)(C)C)cc2)C(O)C(N)=O)o1
InChIInChI=1S/C25H29N3O5/c1-15-27-20(17-8-6-5-7-9-17)22(32-15)24(31)28-19(21(29)23(26)30)14-16-10-12-18(13-11-16)33-25(2,3)4/h5-13,19,21,29H,14H2,1-4H3,(H2,26,30)(H,28,31)
InChIKeyLVFRSWCCXXOEES-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.01
Rot. Bonds8

About N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide

N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 134397906) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
PubChem CID134397906
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC NameN-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(OC(C)(C)C)cc2)C(O)C(N)=O)o1
InChIInChI=1S/C25H29N3O5/c1-15-27-20(17-8-6-5-7-9-17)22(32-15)24(31)28-19(21(29)23(26)30)14-16-10-12-18(13-11-16)33-25(2,3)4/h5-13,19,21,29H,14H2,1-4H3,(H2,26,30)(H,28,31)
InChIKeyLVFRSWCCXXOEES-UHFFFAOYSA-N
XLogP3.01
TPSA127.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 142753794
[4-[(2S)-4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate
CID 134397425
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-methyl-4-(3-methylphenyl)-1,3-oxazole-5-carboxamide;8-methylidene-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 142317097
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-chlorofuran-3-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 153386164
(2S)-2-(ethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 142706583
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide
CID 134397445
benzyl N-[2-[[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 7410875
N-[(2S)-4-amino-1-(3,5-dichlorophenyl)-3-hydroxy-4-oxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 134397844
[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-benzylcarbamic acid
CID 66968639
benzyl (Z)-3-hydroxy-2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)but-2-enoate
CID 177459686
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 166445901

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (CID 134397906) is N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(OC(C)(C)C)cc2)C(O)C(N)=O)o1.
What is the InChIKey of N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is LVFRSWCCXXOEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-15-27-20(17-8-6-5-7-9-17)22(32-15)24(31)28-19(21(29)23(26)30)14-16-10-12-18(13-11-16)33-25(2,3)4/h5-13,19,21,29H,14H2,1-4H3,(H2,26,30)(H,28,31).
What are the key properties of N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 134397906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).