2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine

C17H13N3OS — CID 2995921

IUPAC2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1cncc(-c2nc3cc(NCc4cccs4)ccc3o2)c1
InChIInChI=1S/C17H13N3OS/c1-3-12(10-18-7-1)17-20-15-9-13(5-6-16(15)21-17)19-11-14-4-2-8-22-14/h1-10,19H,11H2
InChIKeyRVVHWRBZRSIIDN-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.56
Rot. Bonds4

About 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine

2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 2995921) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID2995921
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1cncc(-c2nc3cc(NCc4cccs4)ccc3o2)c1
InChIInChI=1S/C17H13N3OS/c1-3-12(10-18-7-1)17-20-15-9-13(5-6-16(15)21-17)19-11-14-4-2-8-22-14/h1-10,19H,11H2
InChIKeyRVVHWRBZRSIIDN-UHFFFAOYSA-N
XLogP4.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine (CID 2995921) is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine is c1cncc(-c2nc3cc(NCc4cccs4)ccc3o2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is RVVHWRBZRSIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-3-12(10-18-7-1)17-20-15-9-13(5-6-16(15)21-17)19-11-14-4-2-8-22-14/h1-10,19H,11H2.
What are the key properties of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine?
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 307.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 2995921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).