5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile

C18H16N4O — CID 70228414

IUPAC5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc3c2CC[C@@]2(COC(N)=N2)C3)c1
InChIInChI=1S/C18H16N4O/c19-8-12-6-14(10-21-9-12)15-3-1-2-13-7-18(5-4-16(13)15)11-23-17(20)22-18/h1-3,6,9-10H,4-5,7,11H2,(H2,20,22)/t18-/m0/s1
InChIKeyLSUWECHAJYPASP-SFHVURJKSA-N
MW304.35 g/mol
LogP2.19
Rot. Bonds1

About 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile

5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile (PubChem CID 70228414) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
PubChem CID70228414
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc3c2CC[C@@]2(COC(N)=N2)C3)c1
InChIInChI=1S/C18H16N4O/c19-8-12-6-14(10-21-9-12)15-3-1-2-13-7-18(5-4-16(13)15)11-23-17(20)22-18/h1-3,6,9-10H,4-5,7,11H2,(H2,20,22)/t18-/m0/s1
InChIKeyLSUWECHAJYPASP-SFHVURJKSA-N
XLogP2.19
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile (CID 70228414) is 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc3c2CC[C@@]2(COC(N)=N2)C3)c1.
What is the InChIKey of 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile?
The InChIKey is LSUWECHAJYPASP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N4O/c19-8-12-6-14(10-21-9-12)15-3-1-2-13-7-18(5-4-16(13)15)11-23-17(20)22-18/h1-3,6,9-10H,4-5,7,11H2,(H2,20,22)/t18-/m0/s1.
What are the key properties of 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile?
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 70228414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).