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

C20H21N3O2 — CID 24552817

IUPAC5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-18(22-20(25-15)16-9-5-3-6-10-16)19(24)21-13-14-23(2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyKMDMLKWYOLXKHM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.52
Rot. Bonds6

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

5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 24552817) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID24552817
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-18(22-20(25-15)16-9-5-3-6-10-16)19(24)21-13-14-23(2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyKMDMLKWYOLXKHM-UHFFFAOYSA-N
XLogP3.52
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24607474
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
N-[3-(4-bromoanilino)-3-oxopropyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 55951068
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119209043
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-3-carboxamide
CID 62080891
2-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 75429021

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 24552817) is 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is KMDMLKWYOLXKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-18(22-20(25-15)16-9-5-3-6-10-16)19(24)21-13-14-23(2)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3,(H,21,24).
What are the key properties of 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24552817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).