N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H19N3O3 — CID 94675875

IUPACN-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(18-22-11)16(21)17-13(10-15(20)19(2)3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyQBNBSJPIUFHSED-CYBMUJFWSA-N
MW301.35 g/mol
LogP1.93
Rot. Bonds5

About N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 94675875) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID94675875
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(18-22-11)16(21)17-13(10-15(20)19(2)3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyQBNBSJPIUFHSED-CYBMUJFWSA-N
XLogP1.93
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478219
N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide
CID 97226096
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47072597
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide
CID 166235083
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 94675875) is N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)no1.
What is the InChIKey of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QBNBSJPIUFHSED-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-9-14(18-22-11)16(21)17-13(10-15(20)19(2)3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94675875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).