N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C19H16Cl2N2O2 — CID 1368511

IUPACN-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H16Cl2N2O2/c1-12-16(19(24)23(2)11-13-7-4-3-5-8-13)18(22-25-12)17-14(20)9-6-10-15(17)21/h3-10H,11H2,1-2H3
InChIKeyBVNZPEAOWGHBQP-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.23
Rot. Bonds4

About N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1368511) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1368511
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H16Cl2N2O2/c1-12-16(19(24)23(2)11-13-7-4-3-5-8-13)18(22-25-12)17-14(20)9-6-10-15(17)21/h3-10H,11H2,1-2H3
InChIKeyBVNZPEAOWGHBQP-UHFFFAOYSA-N
XLogP5.23
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1368511) is N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is BVNZPEAOWGHBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12-16(19(24)23(2)11-13-7-4-3-5-8-13)18(22-25-12)17-14(20)9-6-10-15(17)21/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1368511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).