N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide

C19H12Cl2N2O2S — CID 1372767

IUPACN-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccs1
InChIInChI=1S/C19H12Cl2N2O2S/c1-10-4-5-11(7-14(10)22-18(24)16-3-2-6-26-16)19-23-15-9-12(20)8-13(21)17(15)25-19/h2-9H,1H3,(H,22,24)
InChIKeyCYZGIVUJFKWNLX-UHFFFAOYSA-N
MW403.29 g/mol
LogP6.42
Rot. Bonds3

About N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide

N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 1372767) has the molecular formula C19H12Cl2N2O2S and a molecular weight of 403.29 g/mol. Its IUPAC name is N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
PubChem CID1372767
Molecular FormulaC19H12Cl2N2O2S
Molecular Weight403.29 g/mol
Exact Mass402.00
IUPAC NameN-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccs1
InChIInChI=1S/C19H12Cl2N2O2S/c1-10-4-5-11(7-14(10)22-18(24)16-3-2-6-26-16)19-23-15-9-12(20)8-13(21)17(15)25-19/h2-9H,1H3,(H,22,24)
InChIKeyCYZGIVUJFKWNLX-UHFFFAOYSA-N
XLogP6.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide (CID 1372767) is N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide is Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is CYZGIVUJFKWNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S/c1-10-4-5-11(7-14(10)22-18(24)16-3-2-6-26-16)19-23-15-9-12(20)8-13(21)17(15)25-19/h2-9H,1H3,(H,22,24).
What are the key properties of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 403.29 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1372767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).