3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide

C20H19ClN2O3 — CID 146122787

IUPAC3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCOc1cc(Cl)cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C20H19ClN2O3/c1-13-18(23-20(26-13)14-6-4-3-5-7-14)8-9-22-19(24)15-10-16(21)12-17(11-15)25-2/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyFXDDEVQOMLNBOM-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.28
Rot. Bonds6

About 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide

3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide (PubChem CID 146122787) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
PubChem CID146122787
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCOc1cc(Cl)cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C20H19ClN2O3/c1-13-18(23-20(26-13)14-6-4-3-5-7-14)8-9-22-19(24)15-10-16(21)12-17(11-15)25-2/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyFXDDEVQOMLNBOM-UHFFFAOYSA-N
XLogP4.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
3-methoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415245
2-chloro-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641199
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
CID 110641185
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
CID 110415136
5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
CID 166367611
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122824
2,6-dimethoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641191
2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166296297
benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
CID 110415278

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide (CID 146122787) is 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide is COc1cc(Cl)cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide?
The InChIKey is FXDDEVQOMLNBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-18(23-20(26-13)14-6-4-3-5-7-14)8-9-22-19(24)15-10-16(21)12-17(11-15)25-2/h3-7,10-12H,8-9H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide?
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide has a molecular weight of 370.84 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 146122787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).