[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C20H24ClN5O2 — CID 17095995

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCCn1cc(C2=NOC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)c(C)n1
InChIInChI=1S/C20H24ClN5O2/c1-3-26-13-17(14(2)22-26)18-12-19(28-23-18)20(27)25-9-7-24(8-10-25)16-6-4-5-15(21)11-16/h4-6,11,13,19H,3,7-10,12H2,1-2H3
InChIKeySDZZWEBMFIHKKN-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.71
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 17095995) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID17095995
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCCn1cc(C2=NOC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)c(C)n1
InChIInChI=1S/C20H24ClN5O2/c1-3-26-13-17(14(2)22-26)18-12-19(28-23-18)20(27)25-9-7-24(8-10-25)16-6-4-5-15(21)11-16/h4-6,11,13,19H,3,7-10,12H2,1-2H3
InChIKeySDZZWEBMFIHKKN-UHFFFAOYSA-N
XLogP2.71
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 17095989
N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495821
[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1302265
3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095979
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3158123
N-(2,5-difluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17026382
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 123920353
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642816
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 121460770
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
ethyl 4-[(5R)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
CID 51853763

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 17095995) is [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is CCn1cc(C2=NOC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)c(C)n1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is SDZZWEBMFIHKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-3-26-13-17(14(2)22-26)18-12-19(28-23-18)20(27)25-9-7-24(8-10-25)16-6-4-5-15(21)11-16/h4-6,11,13,19H,3,7-10,12H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 401.90 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 17095995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).