[1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid

C14H17N5O5 — CID 90200092

About [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid

[1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 90200092) has the molecular formula C14H17N5O5 and a molecular weight of 335.32 g/mol. Its IUPAC name is [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 90200092
• Molecular Formula: C14H17N5O5
• Molecular Weight: 335.32 g/mol
• Exact Mass: 335.12
• IUPAC Name: [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid
• SMILES: Cc1cc(N(C)C(=O)c2cccn2NC(=O)C(C)NC(=O)O)no1
• InChI: InChI=1S/C14H17N5O5/c1-8-7-11(17-24-8)18(3)13(21)10-5-4-6-19(10)16-12(20)9(2)15-14(22)23/h4-7,9,15H,1-3H3,(H,16,20)(H,22,23)
• InChIKey: JGWZCQAEAOQBPI-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 129.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.32
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 90200092) is [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid is Cc1cc(N(C)C(=O)c2cccn2NC(=O)C(C)NC(=O)O)no1.

What is the InChIKey of [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid?

The InChIKey is JGWZCQAEAOQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O5/c1-8-7-11(17-24-8)18(3)13(21)10-5-4-6-19(10)16-12(20)9(2)15-14(22)23/h4-7,9,15H,1-3H3,(H,16,20)(H,22,23).

What are the key properties of [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid?

[1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 335.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-[methyl-(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrol-1-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 90200092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).