N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide

C19H16Cl2N2O2 — CID 2452839

IUPACN-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-12-17(22-18(25-12)13-7-4-3-5-8-13)19(24)23(2)11-14-9-6-10-15(20)16(14)21/h3-10H,11H2,1-2H3
InChIKeyPEVWPTOAJIJEEP-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.23
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 2452839) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID2452839
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-12-17(22-18(25-12)13-7-4-3-5-8-13)19(24)23(2)11-14-9-6-10-15(20)16(14)21/h3-10H,11H2,1-2H3
InChIKeyPEVWPTOAJIJEEP-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-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 2452839) is N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is PEVWPTOAJIJEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12-17(22-18(25-12)13-7-4-3-5-8-13)19(24)23(2)11-14-9-6-10-15(20)16(14)21/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-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-[(2,3-dichlorophenyl)methyl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2452839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).