N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C17H22N2O3 — CID 97311968

IUPACN-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOC[C@H](C)N(C)C(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C17H22N2O3/c1-12(11-21-4)19(3)16(20)10-15-13(2)22-17(18-15)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/t12-/m0/s1
InChIKeyAJUJCWXUBXUNHR-LBPRGKRZSA-N
MW302.37 g/mol
LogP2.69
Rot. Bonds6

About N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 97311968) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID97311968
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOC[C@H](C)N(C)C(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C17H22N2O3/c1-12(11-21-4)19(3)16(20)10-15-13(2)22-17(18-15)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/t12-/m0/s1
InChIKeyAJUJCWXUBXUNHR-LBPRGKRZSA-N
XLogP2.69
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611791
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95167723
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51336962
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51337132
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24676962
1-[methyl-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539918
N'-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N'-phenylacetohydrazide
CID 51112549

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 97311968) is N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is COC[C@H](C)N(C)C(=O)Cc1nc(-c2ccccc2)oc1C.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is AJUJCWXUBXUNHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(11-21-4)19(3)16(20)10-15-13(2)22-17(18-15)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 97311968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).