N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole

C56H69ClN8O8 — CID 160777949

About N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole

N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole (PubChem CID 160777949) has the molecular formula C56H69ClN8O8 and a molecular weight of 1017.67 g/mol. Its IUPAC name is N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole.

Molecular Properties

• Compound Name: N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole
• PubChem CID: 160777949
• Molecular Formula: C56H69ClN8O8
• Molecular Weight: 1017.67 g/mol
• Exact Mass: 1016.49
• IUPAC Name: N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole
• SMILES: Cc1ncoc1COc1ccc2c(c1)CCN(C[C@@H](O)CNC(=O)c1ccnc(CC3CCC3)c1)C2.Cc1ncoc1COc1ccc2c(c1)CCNC2.O=C(NC[C@H](O)CCl)c1ccnc(CC2CCC2)c1
• InChI: InChI=1S/C28H34N4O4.C14H19ClN2O2.C14H16N2O2/c1-19-27(36-18-31-19)17-35-26-6-5-23-15-32(10-8-21(23)13-26)16-25(33)14-30-28(34)22-7-9-29-24(12-22)11-20-3-2-4-20;15-8-13(18)9-17-14(19)11-4-5-16-12(7-11)6-10-2-1-3-10;1-10-14(18-9-16-10)8-17-13-3-2-12-7-15-5-4-11(12)6-13/h5-7,9,12-13,18,20,25,33H,2-4,8,10-11,14-17H2,1H3,(H,30,34);4-5,7,10,13,18H,1-3,6,8-9H2,(H,17,19);2-3,6,9,15H,4-5,7-8H2,1H3/t25-;13-;/m01./s1
• InChIKey: SAEUMPUCLCUYNB-HKBIFIFPSA-N
• XLogP: 7.41
• TPSA: 210.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.67
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole?

The IUPAC name of N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole (CID 160777949) is N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole.

What is the SMILES notation for N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole?

The canonical SMILES for N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole is Cc1ncoc1COc1ccc2c(c1)CCN(C[C@@H](O)CNC(=O)c1ccnc(CC3CCC3)c1)C2.Cc1ncoc1COc1ccc2c(c1)CCNC2.O=C(NC[C@H](O)CCl)c1ccnc(CC2CCC2)c1.

What is the InChIKey of N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole?

The InChIKey is SAEUMPUCLCUYNB-HKBIFIFPSA-N. The full InChI is InChI=1S/C28H34N4O4.C14H19ClN2O2.C14H16N2O2/c1-19-27(36-18-31-19)17-35-26-6-5-23-15-32(10-8-21(23)13-26)16-25(33)14-30-28(34)22-7-9-29-24(12-22)11-20-3-2-4-20;15-8-13(18)9-17-14(19)11-4-5-16-12(7-11)6-10-2-1-3-10;1-10-14(18-9-16-10)8-17-13-3-2-12-7-15-5-4-11(12)6-13/h5-7,9,12-13,18,20,25,33H,2-4,8,10-11,14-17H2,1H3,(H,30,34);4-5,7,10,13,18H,1-3,6,8-9H2,(H,17,19);2-3,6,9,15H,4-5,7-8H2,1H3/t25-;13-;/m01./s1.

What are the key properties of N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole?

N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole has a molecular weight of 1017.67 g/mol, XLogP of 7.41, 19 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-chloro-2-hydroxypropyl]-2-(cyclobutylmethyl)pyridine-4-carboxamide;2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide;4-methyl-5-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,3-oxazole is sourced from PubChem (CID 160777949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).