N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

C19H20N4O4 — CID 121448095

IUPACN-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)c1nnc(CC2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1
InChIInChI=1S/C19H20N4O4/c1-11(24)19-22-21-17(26-19)9-12-7-14(8-12)20-18(25)16-10-15(23-27-16)13-5-3-2-4-6-13/h2-6,10-12,14,24H,7-9H2,1H3,(H,20,25)/t11-,12?,14?/m1/s1
InChIKeyPQMHYALVACQJBQ-LKSINWNRSA-N
MW368.39 g/mol
LogP2.53
Rot. Bonds6

About N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 121448095) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID121448095
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESC[C@@H](O)c1nnc(CC2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1
InChIInChI=1S/C19H20N4O4/c1-11(24)19-22-21-17(26-19)9-12-7-14(8-12)20-18(25)16-10-15(23-27-16)13-5-3-2-4-6-13/h2-6,10-12,14,24H,7-9H2,1H3,(H,20,25)/t11-,12?,14?/m1/s1
InChIKeyPQMHYALVACQJBQ-LKSINWNRSA-N
XLogP2.53
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 121448095) is N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is C[C@@H](O)c1nnc(CC2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.
What is the InChIKey of N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is PQMHYALVACQJBQ-LKSINWNRSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11(24)19-22-21-17(26-19)9-12-7-14(8-12)20-18(25)16-10-15(23-27-16)13-5-3-2-4-6-13/h2-6,10-12,14,24H,7-9H2,1H3,(H,20,25)/t11-,12?,14?/m1/s1.
What are the key properties of N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121448095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).