(6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C17H17ClN4O2 — CID 125127731

IUPAC(6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCCc1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1
InChIInChI=1S/C17H17ClN4O2/c1-2-3-16-19-17(24-21-16)14-8-13-10-23-15(9-22(13)20-14)11-4-6-12(18)7-5-11/h4-8,15H,2-3,9-10H2,1H3/t15-/m1/s1
InChIKeyPBOAUNDYQUWKKM-OAHLLOKOSA-N
MW344.80 g/mol
LogP3.81
Rot. Bonds4

About (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

(6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 125127731) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID125127731
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name(6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCCc1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1
InChIInChI=1S/C17H17ClN4O2/c1-2-3-16-19-17(24-21-16)14-8-13-10-23-15(9-22(13)20-14)11-4-6-12(18)7-5-11/h4-8,15H,2-3,9-10H2,1H3/t15-/m1/s1
InChIKeyPBOAUNDYQUWKKM-OAHLLOKOSA-N
XLogP3.81
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

(6S)-6-(4-fluorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127283
6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91890022
(6S)-6-(4-chlorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127175
(6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125126356
(6R)-6-(4-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125125786
(6S)-6-(4-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125125785
(6S)-6-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125125915
(6R)-6-(4-chlorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127761
6-(4-chlorophenyl)-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889926
6-(4-chlorophenyl)-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889925
(6R)-6-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128862
(6S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-ethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125126174

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 125127731) is (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is CCCc1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1.
What is the InChIKey of (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is PBOAUNDYQUWKKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-2-3-16-19-17(24-21-16)14-8-13-10-23-15(9-22(13)20-14)11-4-6-12(18)7-5-11/h4-8,15H,2-3,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
(6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 344.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 125127731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).