N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

C19H22N2O4 — CID 95985154

IUPACN-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1[C@@H]1CCCO1
InChIInChI=1S/C19H22N2O4/c22-15-8-7-12-4-1-2-5-13(12)14(15)10-20-19(23)17-18(25-11-21-17)16-6-3-9-24-16/h7-8,11,16,22H,1-6,9-10H2,(H,20,23)/t16-/m0/s1
InChIKeyJSSXXMBATSHODN-INIZCTEOSA-N
MW342.40 g/mol
LogP3.04
Rot. Bonds4

About N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 95985154) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID95985154
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1[C@@H]1CCCO1
InChIInChI=1S/C19H22N2O4/c22-15-8-7-12-4-1-2-5-13(12)14(15)10-20-19(23)17-18(25-11-21-17)16-6-3-9-24-16/h7-8,11,16,22H,1-6,9-10H2,(H,20,23)/t16-/m0/s1
InChIKeyJSSXXMBATSHODN-INIZCTEOSA-N
XLogP3.04
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (CID 95985154) is N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1[C@@H]1CCCO1.
What is the InChIKey of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is JSSXXMBATSHODN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-15-8-7-12-4-1-2-5-13(12)14(15)10-20-19(23)17-18(25-11-21-17)16-6-3-9-24-16/h7-8,11,16,22H,1-6,9-10H2,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95985154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).