N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide

C13H20N2O5 — CID 164638710

IUPACN-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)on1
InChIInChI=1S/C13H20N2O5/c1-18-12-8-11(20-15-12)13(17)14-10(2-5-16)9-3-6-19-7-4-9/h8-10,16H,2-7H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyNSDIZIKJLOODGT-JTQLQIEISA-N
MW284.31 g/mol
LogP0.59
Rot. Bonds6

About N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 164638710) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID164638710
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)on1
InChIInChI=1S/C13H20N2O5/c1-18-12-8-11(20-15-12)13(17)14-10(2-5-16)9-3-6-19-7-4-9/h8-10,16H,2-7H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyNSDIZIKJLOODGT-JTQLQIEISA-N
XLogP0.59
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 164638710) is N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)on1.
What is the InChIKey of N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is NSDIZIKJLOODGT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O5/c1-18-12-8-11(20-15-12)13(17)14-10(2-5-16)9-3-6-19-7-4-9/h8-10,16H,2-7H2,1H3,(H,14,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 164638710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).