2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide

C19H18ClN3O2 — CID 86930999

IUPAC2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H18ClN3O2/c1-23(2)19(24)15-8-3-4-9-16(15)21-12-18-22-11-17(25-18)13-6-5-7-14(20)10-13/h3-11,21H,12H2,1-2H3
InChIKeyOXIOKGZWUFYZFB-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.31
Rot. Bonds5

About 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide

2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide (PubChem CID 86930999) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide
PubChem CID86930999
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H18ClN3O2/c1-23(2)19(24)15-8-3-4-9-16(15)21-12-18-22-11-17(25-18)13-6-5-7-14(20)10-13/h3-11,21H,12H2,1-2H3
InChIKeyOXIOKGZWUFYZFB-UHFFFAOYSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide
CID 86911558
2-chloro-N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-[[(R)-methylsulfinyl]methyl]aniline
CID 99504465
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817670
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole
CID 56823231
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112798635
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide
CID 51226891
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]butanoic acid
CID 105353084

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide (CID 86930999) is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide?
The InChIKey is OXIOKGZWUFYZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-23(2)19(24)15-8-3-4-9-16(15)21-12-18-22-11-17(25-18)13-6-5-7-14(20)10-13/h3-11,21H,12H2,1-2H3.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide?
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide has a molecular weight of 355.83 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 86930999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).