4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide

C19H19N3O2 — CID 166321411

IUPAC4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCc1cc(Cc2ccccc2)on1
InChIInChI=1S/C19H19N3O2/c1-13-9-15(19(20)23)7-8-18(13)21-12-16-11-17(24-22-16)10-14-5-3-2-4-6-14/h2-9,11,21H,10,12H2,1H3,(H2,20,23)
InChIKeyGKGUASHXWDVYIY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.28
Rot. Bonds6

About 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide

4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide (PubChem CID 166321411) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide
PubChem CID166321411
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCc1cc(Cc2ccccc2)on1
InChIInChI=1S/C19H19N3O2/c1-13-9-15(19(20)23)7-8-18(13)21-12-16-11-17(24-22-16)10-14-5-3-2-4-6-14/h2-9,11,21H,10,12H2,1H3,(H2,20,23)
InChIKeyGKGUASHXWDVYIY-UHFFFAOYSA-N
XLogP3.28
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
CID 79776352
4-[(4,5-dibromofuran-2-yl)methylamino]-3-methylbenzamide
CID 62085907
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 167779651
4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide
CID 154794555
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
4-[(5-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 43706863
2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 90864078
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
4-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-3-methylbenzamide
CID 66269874

Frequently Asked Questions

What is the IUPAC name of 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide?
The IUPAC name of 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide (CID 166321411) is 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide?
The canonical SMILES for 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NCc1cc(Cc2ccccc2)on1.
What is the InChIKey of 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide?
The InChIKey is GKGUASHXWDVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-9-15(19(20)23)7-8-18(13)21-12-16-11-17(24-22-16)10-14-5-3-2-4-6-14/h2-9,11,21H,10,12H2,1H3,(H2,20,23).
What are the key properties of 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide?
4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide is sourced from PubChem (CID 166321411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).