N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide

C24H28N4O4 — CID 91668737

About N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide

N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 91668737) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 91668737
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide
• SMILES: CC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cnco4)cc3)C2)ccn1
• InChI: InChI=1S/C24H28N4O4/c1-16(2)31-23-12-19(8-10-26-23)28-11-9-21(14-28)32-20-6-4-18(5-7-20)17(3)27-24(29)22-13-25-15-30-22/h4-8,10,12-13,15-17,21H,9,11,14H2,1-3H3,(H,27,29)/t17-,21?/m0/s1
• InChIKey: SVQPOPGGYGCDLL-PBVYKCSPSA-N
• XLogP: 4.01
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide (CID 91668737) is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide is CC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)c4cnco4)cc3)C2)ccn1.

What is the InChIKey of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?

The InChIKey is SVQPOPGGYGCDLL-PBVYKCSPSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16(2)31-23-12-19(8-10-26-23)28-11-9-21(14-28)32-20-6-4-18(5-7-20)17(3)27-24(29)22-13-25-15-30-22/h4-8,10,12-13,15-17,21H,9,11,14H2,1-3H3,(H,27,29)/t17-,21?/m0/s1.

What are the key properties of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide?

N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91668737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).