N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide

C17H14Cl2N2O2 — CID 53238364

IUPACN-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc2oc(-c3ccc(Cl)cc3)nc2cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-9(2)16(22)20-13-8-15-14(7-12(13)19)21-17(23-15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,20,22)
InChIKeyRBDIRCFERBEHSU-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.40
Rot. Bonds3

About N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide

N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide (PubChem CID 53238364) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide
PubChem CID53238364
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc2oc(-c3ccc(Cl)cc3)nc2cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-9(2)16(22)20-13-8-15-14(7-12(13)19)21-17(23-15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,20,22)
InChIKeyRBDIRCFERBEHSU-UHFFFAOYSA-N
XLogP5.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
The IUPAC name of N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide (CID 53238364) is N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cc2oc(-c3ccc(Cl)cc3)nc2cc1Cl.
What is the InChIKey of N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
The InChIKey is RBDIRCFERBEHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-9(2)16(22)20-13-8-15-14(7-12(13)19)21-17(23-15)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide has a molecular weight of 349.22 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide is sourced from PubChem (CID 53238364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).