N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide

C19H13ClN2O2S — CID 41340492

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H13ClN2O2S/c20-17-9-8-14(25-17)11-18(23)21-13-5-3-4-12(10-13)19-22-15-6-1-2-7-16(15)24-19/h1-10H,11H2,(H,21,23)
InChIKeyFBFBKTHOZSKSAD-UHFFFAOYSA-N
MW368.85 g/mol
LogP5.39
Rot. Bonds4

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide (PubChem CID 41340492) has the molecular formula C19H13ClN2O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide
PubChem CID41340492
Molecular FormulaC19H13ClN2O2S
Molecular Weight368.85 g/mol
Exact Mass368.04
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C19H13ClN2O2S/c20-17-9-8-14(25-17)11-18(23)21-13-5-3-4-12(10-13)19-22-15-6-1-2-7-16(15)24-19/h1-10H,11H2,(H,21,23)
InChIKeyFBFBKTHOZSKSAD-UHFFFAOYSA-N
XLogP5.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide (CID 41340492) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide is O=C(Cc1ccc(Cl)s1)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide?
The InChIKey is FBFBKTHOZSKSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2S/c20-17-9-8-14(25-17)11-18(23)21-13-5-3-4-12(10-13)19-22-15-6-1-2-7-16(15)24-19/h1-10H,11H2,(H,21,23).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide has a molecular weight of 368.85 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chlorothiophen-2-yl)acetamide is sourced from PubChem (CID 41340492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).