N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine

C19H24Cl2N4O — CID 154663102

IUPACN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine
SMILESClc1cccc(N2CCN(CCC3CC(Nc4ncco4)C3)CC2)c1Cl
InChIInChI=1S/C19H24Cl2N4O/c20-16-2-1-3-17(18(16)21)25-9-7-24(8-10-25)6-4-14-12-15(13-14)23-19-22-5-11-26-19/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,22,23)
InChIKeyOJFZSNHJCKVDRR-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.38
Rot. Bonds6

About N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine

N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine (PubChem CID 154663102) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine
PubChem CID154663102
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC NameN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine
SMILESClc1cccc(N2CCN(CCC3CC(Nc4ncco4)C3)CC2)c1Cl
InChIInChI=1S/C19H24Cl2N4O/c20-16-2-1-3-17(18(16)21)25-9-7-24(8-10-25)6-4-14-12-15(13-14)23-19-22-5-11-26-19/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,22,23)
InChIKeyOJFZSNHJCKVDRR-UHFFFAOYSA-N
XLogP4.38
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-Dichlorophenyl)-1,3-oxazol-2-amine
CID 377656
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-fluorocyclohexyl]-1,3-oxazol-2-amine
CID 156704348
Obuprazine
CID 156316465
1-[3-[4-[2-[4,5-Dichloro-2-(1,3-oxazol-2-ylamino)anilino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 135341146
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
CID 156704351
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;hydrobromide
CID 166094853
1,3-Oxazol-2-yl 3-[[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]amino]-3-oxopropanoate
CID 166094854
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;hydrochloride
CID 166094855
N-[[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]methylidene]-1,3-oxazole-2-carboxamide
CID 167202690
acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide
CID 175513254
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;sulfuric acid
CID 175513257
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid
CID 175513258

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine?
The IUPAC name of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine (CID 154663102) is N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine is Clc1cccc(N2CCN(CCC3CC(Nc4ncco4)C3)CC2)c1Cl.
What is the InChIKey of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine?
The InChIKey is OJFZSNHJCKVDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O/c20-16-2-1-3-17(18(16)21)25-9-7-24(8-10-25)6-4-14-12-15(13-14)23-19-22-5-11-26-19/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,22,23).
What are the key properties of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine?
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine has a molecular weight of 395.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 154663102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).