2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide

C19H15N3O2S — CID 91625803

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1cccnc1-c1cccs1
InChIInChI=1S/C19H15N3O2S/c23-18(11-15-14-6-1-2-7-16(14)24-22-15)21-12-13-5-3-9-20-19(13)17-8-4-10-25-17/h1-10H,11-12H2,(H,21,23)
InChIKeyPHMHMNBAJFRPCN-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.81
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide (PubChem CID 91625803) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide
PubChem CID91625803
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1cccnc1-c1cccs1
InChIInChI=1S/C19H15N3O2S/c23-18(11-15-14-6-1-2-7-16(14)24-22-15)21-12-13-5-3-9-20-19(13)17-8-4-10-25-17/h1-10H,11-12H2,(H,21,23)
InChIKeyPHMHMNBAJFRPCN-UHFFFAOYSA-N
XLogP3.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide (CID 91625803) is 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide is O=C(Cc1noc2ccccc12)NCc1cccnc1-c1cccs1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is PHMHMNBAJFRPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18(11-15-14-6-1-2-7-16(14)24-22-15)21-12-13-5-3-9-20-19(13)17-8-4-10-25-17/h1-10H,11-12H2,(H,21,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91625803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).