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

C21H21N3O3 — CID 71873834

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2oc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H21N3O3/c1-3-22-19(25)17-11-7-8-15(12-17)13-23-20(26)18-14(2)24-21(27-18)16-9-5-4-6-10-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGUAXHVFEBHTLAR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.33
Rot. Bonds6

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

N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 71873834) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID71873834
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2oc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H21N3O3/c1-3-22-19(25)17-11-7-8-15(12-17)13-23-20(26)18-14(2)24-21(27-18)16-9-5-4-6-10-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGUAXHVFEBHTLAR-UHFFFAOYSA-N
XLogP3.33
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 55724396
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 55724271
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
N-[[3-(bromomethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313108
N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
CID 133317052

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (CID 71873834) is N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2oc(-c3ccccc3)nc2C)c1.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is GUAXHVFEBHTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-22-19(25)17-11-7-8-15(12-17)13-23-20(26)18-14(2)24-21(27-18)16-9-5-4-6-10-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71873834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).