N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide

C17H18N6O2 — CID 97245522

About N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide

N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide (PubChem CID 97245522) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide
• PubChem CID: 97245522
• Molecular Formula: C17H18N6O2
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.15
• IUPAC Name: N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide
• SMILES: Cc1ocnc1Cn1nnc([C@H](NC(=O)c2ccccc2)C2CC2)n1
• InChI: InChI=1S/C17H18N6O2/c1-11-14(18-10-25-11)9-23-21-16(20-22-23)15(12-7-8-12)19-17(24)13-5-3-2-4-6-13/h2-6,10,12,15H,7-9H2,1H3,(H,19,24)/t15-/m1/s1
• InChIKey: PLKVODQVFQJMBX-OAHLLOKOSA-N
• XLogP: 1.90
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide?

The IUPAC name of N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide (CID 97245522) is N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide.

What is the SMILES notation for N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide?

The canonical SMILES for N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide is Cc1ocnc1Cn1nnc([C@H](NC(=O)c2ccccc2)C2CC2)n1.

What is the InChIKey of N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide?

The InChIKey is PLKVODQVFQJMBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-14(18-10-25-11)9-23-21-16(20-22-23)15(12-7-8-12)19-17(24)13-5-3-2-4-6-13/h2-6,10,12,15H,7-9H2,1H3,(H,19,24)/t15-/m1/s1.

What are the key properties of N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide?

N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 97245522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).