(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one

C16H16N6O2 — CID 126449481

IUPAC(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCc2nocc2C1
InChIInChI=1S/C16H16N6O2/c23-16(21-7-6-14-13(9-21)10-24-18-14)15(22-11-17-19-20-22)8-12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2/t15-/m1/s1
InChIKeyHYDLZPFDJRJEHF-OAHLLOKOSA-N
MW324.34 g/mol
LogP1.03
Rot. Bonds4

About (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one

(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one (PubChem CID 126449481) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
PubChem CID126449481
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCc2nocc2C1
InChIInChI=1S/C16H16N6O2/c23-16(21-7-6-14-13(9-21)10-24-18-14)15(22-11-17-19-20-22)8-12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2/t15-/m1/s1
InChIKeyHYDLZPFDJRJEHF-OAHLLOKOSA-N
XLogP1.03
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 126449480
(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 38298963
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 94551515
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55496660
(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95402920
(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 51054904
(2R)-1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 124838639
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 131891349
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
(2S)-3-phenyl-2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 35384521
(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 33366690

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one (CID 126449481) is (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one is O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCc2nocc2C1.
What is the InChIKey of (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is HYDLZPFDJRJEHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-16(21-7-6-14-13(9-21)10-24-18-14)15(22-11-17-19-20-22)8-12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2/t15-/m1/s1.
What are the key properties of (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
(2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 324.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 126449481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).