N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide

C20H26N2O2 — CID 56774321

IUPACN-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccccc3)on2)C1(C)C
InChIInChI=1S/C20H26N2O2/c1-13(2)19(23)21-18-11-15(20(18,3)4)10-16-12-17(24-22-16)14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H,21,23)/t15-,18+/m1/s1
InChIKeyVMHQUXGOWWJCTC-QAPCUYQASA-N
MW326.44 g/mol
LogP4.07
Rot. Bonds5

About N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide

N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide (PubChem CID 56774321) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide
PubChem CID56774321
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccccc3)on2)C1(C)C
InChIInChI=1S/C20H26N2O2/c1-13(2)19(23)21-18-11-15(20(18,3)4)10-16-12-17(24-22-16)14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H,21,23)/t15-,18+/m1/s1
InChIKeyVMHQUXGOWWJCTC-QAPCUYQASA-N
XLogP4.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide
CID 56774103
trans-(1S,3S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
CID 56774197
methyl 2-[[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]amino]-2-oxoacetate
CID 56774343
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
(2S)-2-[[(1S)-1-carboxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]amino]-4-methylpentanoic acid
CID 58632916
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
N-[(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774136
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111455140
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide (CID 56774321) is N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccccc3)on2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide?
The InChIKey is VMHQUXGOWWJCTC-QAPCUYQASA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)19(23)21-18-11-15(20(18,3)4)10-16-12-17(24-22-16)14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H,21,23)/t15-,18+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide?
N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide is sourced from PubChem (CID 56774321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).