5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine

C22H19N3O3 — CID 129392258

About 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine

5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine (PubChem CID 129392258) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine
• PubChem CID: 129392258
• Molecular Formula: C22H19N3O3
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.14
• IUPAC Name: 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine
• SMILES: COc1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccc(N)nc4)cc3o1)CO2
• InChI: InChI=1S/C22H19N3O3/c1-26-17-4-6-19-15(9-17)8-16(12-27-19)22-25-18-5-2-13(10-20(18)28-22)14-3-7-21(23)24-11-14/h2-7,9-11,16H,8,12H2,1H3,(H2,23,24)/t16-/m0/s1
• InChIKey: MPNWJSYGGULZTD-INIZCTEOSA-N
• XLogP: 4.20
• TPSA: 83.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine?

The IUPAC name of 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine (CID 129392258) is 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine.

What is the SMILES notation for 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine?

The canonical SMILES for 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine is COc1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccc(N)nc4)cc3o1)CO2.

What is the InChIKey of 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine?

The InChIKey is MPNWJSYGGULZTD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-26-17-4-6-19-15(9-17)8-16(12-27-19)22-25-18-5-2-13(10-20(18)28-22)14-3-7-21(23)24-11-14/h2-7,9-11,16H,8,12H2,1H3,(H2,23,24)/t16-/m0/s1.

What are the key properties of 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine?

5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine has a molecular weight of 373.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,3-benzoxazol-6-yl]pyridin-2-amine is sourced from PubChem (CID 129392258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).