N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide

C21H21N3O3 — CID 153360814

IUPACN-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)N(C)c3ncco3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-4-19(25)23(2)18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(26)24(3)21-22-13-14-27-21/h5-14H,4H2,1-3H3
InChIKeyKKKDLGVWZPYVPB-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.99
Rot. Bonds5

About N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide

N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide (PubChem CID 153360814) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide
PubChem CID153360814
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)N(C)c3ncco3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-4-19(25)23(2)18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(26)24(3)21-22-13-14-27-21/h5-14H,4H2,1-3H3
InChIKeyKKKDLGVWZPYVPB-UHFFFAOYSA-N
XLogP3.99
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-oxazol-2-ylcarbamoyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510855
2-amino-8-N-(1,3-oxazol-2-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 122510279
N-(1,3-oxazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162429801
2-methyl-N-(1,3-oxazol-2-yl)benzamide
CID 118707930
2-benzoylamino-N-(4-methylphenyl)-5-oxazolecarboxamide
CID 129843294
2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 24831434
3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
CID 24831435
1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110489
1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110516
4-tert-butyl-N-[2-fluoro-3-[4-methyl-6-[N-(1,3-oxazol-2-yl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 91317881
3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-5-fluoro-4-[3-(1,3-oxazol-2-ylcarbamoyl)anilino]benzamide
CID 156039131
N-(1,3-oxazol-2-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162429835

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide (CID 153360814) is N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)N(C)c3ncco3)cc2)cc1.
What is the InChIKey of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?
The InChIKey is KKKDLGVWZPYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-19(25)23(2)18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(26)24(3)21-22-13-14-27-21/h5-14H,4H2,1-3H3.
What are the key properties of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?
N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 153360814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).