N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

C23H21N5O4 — CID 176594517

About N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (PubChem CID 176594517) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• PubChem CID: 176594517
• Molecular Formula: C23H21N5O4
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.16
• IUPAC Name: N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(N)oc3c2)cc1NC(=O)N1OCCC1c1ccccc1
• InChI: InChI=1S/C23H21N5O4/c1-30-21-18(27-23(29)28-19(9-10-31-28)14-5-3-2-4-6-14)11-16(13-25-21)15-7-8-17-20(12-15)32-22(24)26-17/h2-8,11-13,19H,9-10H2,1H3,(H2,24,26)(H,27,29)
• InChIKey: CHCAABMRZKVZTN-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 115.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The IUPAC name of N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (CID 176594517) is N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

What is the SMILES notation for N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The canonical SMILES for N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is COc1ncc(-c2ccc3nc(N)oc3c2)cc1NC(=O)N1OCCC1c1ccccc1.

What is the InChIKey of N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The InChIKey is CHCAABMRZKVZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-30-21-18(27-23(29)28-19(9-10-31-28)14-5-3-2-4-6-14)11-16(13-25-21)15-7-8-17-20(12-15)32-22(24)26-17/h2-8,11-13,19H,9-10H2,1H3,(H2,24,26)(H,27,29).

What are the key properties of N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-amino-1,3-benzoxazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 176594517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).