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

C20H18ClN3O2 — CID 86911558

IUPAC2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C20H18ClN3O2/c1-2-10-22-20(25)16-8-3-4-9-17(16)23-13-19-24-12-18(26-19)14-6-5-7-15(21)11-14/h2-9,11-12,23H,1,10,13H2,(H,22,25)
InChIKeyXQLPTQPNNYSIQJ-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.52
Rot. Bonds7

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

2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide (PubChem CID 86911558) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide
PubChem CID86911558
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C20H18ClN3O2/c1-2-10-22-20(25)16-8-3-4-9-17(16)23-13-19-24-12-18(26-19)14-6-5-7-15(21)11-14/h2-9,11-12,23H,1,10,13H2,(H,22,25)
InChIKeyXQLPTQPNNYSIQJ-UHFFFAOYSA-N
XLogP4.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide
CID 86930999
2-chloro-N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-[[(R)-methylsulfinyl]methyl]aniline
CID 99504465
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18155897
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817670
4-chloro-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-propylbenzamide
CID 55894851
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
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
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide (CID 86911558) is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NCc1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide?
The InChIKey is XQLPTQPNNYSIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-2-10-22-20(25)16-8-3-4-9-17(16)23-13-19-24-12-18(26-19)14-6-5-7-15(21)11-14/h2-9,11-12,23H,1,10,13H2,(H,22,25).
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide?
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N-prop-2-enylbenzamide has a molecular weight of 367.84 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 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-prop-2-enylbenzamide is sourced from PubChem (CID 86911558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).