[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C20H20ClN3O2 — CID 1302265

IUPAC[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CC(c2ccccc2Cl)=NO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20ClN3O2/c21-17-9-5-4-8-16(17)18-14-19(26-22-18)20(25)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,19H,10-14H2/t19-/m0/s1
InChIKeyNDDNJIJCFDHTAG-IBGZPJMESA-N
MW369.85 g/mol
LogP3.18
Rot. Bonds3

About [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1302265) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID1302265
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CC(c2ccccc2Cl)=NO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20ClN3O2/c21-17-9-5-4-8-16(17)18-14-19(26-22-18)20(25)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,19H,10-14H2/t19-/m0/s1
InChIKeyNDDNJIJCFDHTAG-IBGZPJMESA-N
XLogP3.18
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 3158090
[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 17095989
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095995
[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 42816767
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92734591
[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55911396
azetidin-1-yl-[3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 75484338
1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 129367099
3-(2-chlorophenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963224
(5R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260010
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 1302315

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 1302265) is [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is O=C([C@@H]1CC(c2ccccc2Cl)=NO1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is NDDNJIJCFDHTAG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-17-9-5-4-8-16(17)18-14-19(26-22-18)20(25)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,19H,10-14H2/t19-/m0/s1.
What are the key properties of [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 369.85 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1302265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).