N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide

C30H27N9O4 — CID 167408294

About N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide

N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide (PubChem CID 167408294) has the molecular formula C30H27N9O4 and a molecular weight of 577.61 g/mol. Its IUPAC name is N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide
• PubChem CID: 167408294
• Molecular Formula: C30H27N9O4
• Molecular Weight: 577.61 g/mol
• Exact Mass: 577.22
• IUPAC Name: N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide
• SMILES: CC(=O)Nc1ccc2oc(-c3cc(C(=O)N4CCN(C(c5ccccc5)c5nnn(C)n5)CC4)nc4ccoc34)nc2c1
• InChI: InChI=1S/C30H27N9O4/c1-18(40)31-20-8-9-25-23(16-20)33-29(43-25)21-17-24(32-22-10-15-42-27(21)22)30(41)39-13-11-38(12-14-39)26(19-6-4-3-5-7-19)28-34-36-37(2)35-28/h3-10,15-17,26H,11-14H2,1-2H3,(H,31,40)
• InChIKey: CWBLIZLNMDVLOG-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 148.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.61
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide?

The IUPAC name of N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide (CID 167408294) is N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide.

What is the SMILES notation for N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide?

The canonical SMILES for N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide is CC(=O)Nc1ccc2oc(-c3cc(C(=O)N4CCN(C(c5ccccc5)c5nnn(C)n5)CC4)nc4ccoc34)nc2c1.

What is the InChIKey of N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide?

The InChIKey is CWBLIZLNMDVLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O4/c1-18(40)31-20-8-9-25-23(16-20)33-29(43-25)21-17-24(32-22-10-15-42-27(21)22)30(41)39-13-11-38(12-14-39)26(19-6-4-3-5-7-19)28-34-36-37(2)35-28/h3-10,15-17,26H,11-14H2,1-2H3,(H,31,40).

What are the key properties of N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide?

N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 577.61 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]furo[3,2-b]pyridin-7-yl]-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 167408294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).