(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide

C18H24N2O4 — CID 164616667

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCc1cc(CCc2ccccc2)on1
InChIInChI=1S/C18H24N2O4/c1-18(2,12-21)16(22)17(23)19-11-14-10-15(24-20-14)9-8-13-6-4-3-5-7-13/h3-7,10,16,21-22H,8-9,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyPEOFWBXPUZIWGZ-INIZCTEOSA-N
MW332.40 g/mol
LogP1.46
Rot. Bonds8

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide (PubChem CID 164616667) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide
PubChem CID164616667
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCc1cc(CCc2ccccc2)on1
InChIInChI=1S/C18H24N2O4/c1-18(2,12-21)16(22)17(23)19-11-14-10-15(24-20-14)9-8-13-6-4-3-5-7-13/h3-7,10,16,21-22H,8-9,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyPEOFWBXPUZIWGZ-INIZCTEOSA-N
XLogP1.46
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide with MolForge

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Related Compounds

N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 118272081
(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 3048066
4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide
CID 126830816
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
CID 155543448
N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 123708494
(2R)-2-amino-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
CID 56864135
3-[5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-1,2-oxazol-3-yl]propanoic acid
CID 22849539
4-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 7335953
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide
CID 125469748
(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 125469777

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide (CID 164616667) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide is CC(C)(CO)[C@@H](O)C(=O)NCc1cc(CCc2ccccc2)on1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide?
The InChIKey is PEOFWBXPUZIWGZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2,12-21)16(22)17(23)19-11-14-10-15(24-20-14)9-8-13-6-4-3-5-7-13/h3-7,10,16,21-22H,8-9,11-12H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide has a molecular weight of 332.40 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide is sourced from PubChem (CID 164616667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).