4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane

C27H35N5O7 — CID 163226863

About 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane

4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane (PubChem CID 163226863) has the molecular formula C27H35N5O7 and a molecular weight of 541.61 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane
• PubChem CID: 163226863
• Molecular Formula: C27H35N5O7
• Molecular Weight: 541.61 g/mol
• Exact Mass: 541.25
• IUPAC Name: 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane
• SMILES: CC(C)C.COc1cccc2[nH]c(C(=O)NCC(=O)NC(C[C@@H]3CCNC3=O)C(=O)COc3ccon3)cc12
• InChI: InChI=1S/C23H25N5O7.C4H10/c1-33-19-4-2-3-15-14(19)10-17(26-15)23(32)25-11-20(30)27-16(9-13-5-7-24-22(13)31)18(29)12-34-21-6-8-35-28-21;1-4(2)3/h2-4,6,8,10,13,16,26H,5,7,9,11-12H2,1H3,(H,24,31)(H,25,32)(H,27,30);4H,1-3H3/t13-,16?;/m0./s1
• InChIKey: PAJLURZLQBYGMM-MRTSDAHRSA-N
• XLogP: 2.22
• TPSA: 164.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.61
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane?

The IUPAC name of 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane (CID 163226863) is 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane.

What is the SMILES notation for 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane?

The canonical SMILES for 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane is CC(C)C.COc1cccc2[nH]c(C(=O)NCC(=O)NC(C[C@@H]3CCNC3=O)C(=O)COc3ccon3)cc12.

What is the InChIKey of 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane?

The InChIKey is PAJLURZLQBYGMM-MRTSDAHRSA-N. The full InChI is InChI=1S/C23H25N5O7.C4H10/c1-33-19-4-2-3-15-14(19)10-17(26-15)23(32)25-11-20(30)27-16(9-13-5-7-24-22(13)31)18(29)12-34-21-6-8-35-28-21;1-4(2)3/h2-4,6,8,10,13,16,26H,5,7,9,11-12H2,1H3,(H,24,31)(H,25,32)(H,27,30);4H,1-3H3/t13-,16?;/m0./s1.

What are the key properties of 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane?

4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane has a molecular weight of 541.61 g/mol, XLogP of 2.22, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane is sourced from PubChem (CID 163226863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).