N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

C22H23N3O4 — CID 68938479

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cn1
InChIInChI=1S/C22H23N3O4/c1-14-17(21(25-29-14)15-6-3-2-4-7-15)13-28-20-11-10-16(12-23-20)22(27)24-18-8-5-9-19(18)26/h2-4,6-7,10-12,18-19,26H,5,8-9,13H2,1H3,(H,24,27)/t18-,19-/m0/s1
InChIKeyUDGOBDSFWBJVTE-OALUTQOASA-N
MW393.44 g/mol
LogP3.27
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (PubChem CID 68938479) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
PubChem CID68938479
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cn1
InChIInChI=1S/C22H23N3O4/c1-14-17(21(25-29-14)15-6-3-2-4-7-15)13-28-20-11-10-16(12-23-20)22(27)24-18-8-5-9-19(18)26/h2-4,6-7,10-12,18-19,26H,5,8-9,13H2,1H3,(H,24,27)/t18-,19-/m0/s1
InChIKeyUDGOBDSFWBJVTE-OALUTQOASA-N
XLogP3.27
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (CID 68938479) is N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cn1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is UDGOBDSFWBJVTE-OALUTQOASA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-17(21(25-29-14)15-6-3-2-4-7-15)13-28-20-11-10-16(12-23-20)22(27)24-18-8-5-9-19(18)26/h2-4,6-7,10-12,18-19,26H,5,8-9,13H2,1H3,(H,24,27)/t18-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68938479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).