5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide

C20H20N4O4 — CID 45199499

IUPAC5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N(C)C(C)c3ccncn3)no2)c1
InChIInChI=1S/C20H20N4O4/c1-13(18-7-8-21-12-22-18)24(3)20(26)19-10-17(28-23-19)11-27-16-6-4-5-15(9-16)14(2)25/h4-10,12-13H,11H2,1-3H3
InChIKeyHIRRABYLPGSLST-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.08
Rot. Bonds7

About 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 45199499) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID45199499
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N(C)C(C)c3ccncn3)no2)c1
InChIInChI=1S/C20H20N4O4/c1-13(18-7-8-21-12-22-18)24(3)20(26)19-10-17(28-23-19)11-27-16-6-4-5-15(9-16)14(2)25/h4-10,12-13H,11H2,1-3H3
InChIKeyHIRRABYLPGSLST-UHFFFAOYSA-N
XLogP3.08
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ML381
CID 42519285
N-(3-imidazolylpropyl)[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9550543
1-(5-(2,6-Dimethoxypyrimidin-4-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 24748349
1-({5-[(2,6-dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 24790311
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 24791062
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-(pyridin-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791252
1-{4-[(3-{[4-(4-Pyridinyl)-1-piperidinyl]carbonyl}-5-isoxazolyl)methoxy]phenyl}ethanone
CID 24791446
5-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 24792008
2-[1-[5-(5-Isoquinolyloxymethyl)isoxazole-3-carbonyl]-2-piperidyl]acetic acid ethyl ester
CID 24792017
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24792979
1-({5-[(2,6-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-4-(2-pyridinyl)piperazine
CID 24792997
[2-(2-Methoxyethyl)-1-piperidinyl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-3-isoxazolyl]methanone
CID 24793194

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 45199499) is 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)N(C)C(C)c3ccncn3)no2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HIRRABYLPGSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(18-7-8-21-12-22-18)24(3)20(26)19-10-17(28-23-19)11-27-16-6-4-5-15(9-16)14(2)25/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45199499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).