N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H22N4O3 — CID 131932761

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C17H22N4O3/c1-5-14-16(11(2)24-20-14)17(23)19-13-8-6-7-12(9-13)18-15(22)10-21(3)4/h6-9H,5,10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyAYUIPTBDRQOBAQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.30
Rot. Bonds6

About N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 131932761) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID131932761
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C17H22N4O3/c1-5-14-16(11(2)24-20-14)17(23)19-13-8-6-7-12(9-13)18-15(22)10-21(3)4/h6-9H,5,10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyAYUIPTBDRQOBAQ-UHFFFAOYSA-N
XLogP2.30
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17392909
[2-(3-acetamidoanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531148
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 29201390
3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9158633
3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9479423
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8896388
N-(2,3-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47450846
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 131932761) is N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cccc(NC(=O)CN(C)C)c1.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AYUIPTBDRQOBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-14-16(11(2)24-20-14)17(23)19-13-8-6-7-12(9-13)18-15(22)10-21(3)4/h6-9H,5,10H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131932761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).