1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea

C17H25ClN4O3 — CID 125416955

IUPAC1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea
SMILESCN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1
InChIInChI=1S/C17H25ClN4O3/c1-21-5-7-22(8-6-21)10-15-16(23)14(11-25-15)20-17(24)19-13-4-2-3-12(18)9-13/h2-4,9,14-16,23H,5-8,10-11H2,1H3,(H2,19,20,24)/t14-,15-,16+/m0/s1
InChIKeyJDQZIHQQUMFLTR-HRCADAONSA-N
MW368.87 g/mol
LogP0.84
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea

1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea (PubChem CID 125416955) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea
PubChem CID125416955
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC Name1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea
SMILESCN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1
InChIInChI=1S/C17H25ClN4O3/c1-21-5-7-22(8-6-21)10-15-16(23)14(11-25-15)20-17(24)19-13-4-2-3-12(18)9-13/h2-4,9,14-16,23H,5-8,10-11H2,1H3,(H2,19,20,24)/t14-,15-,16+/m0/s1
InChIKeyJDQZIHQQUMFLTR-HRCADAONSA-N
XLogP0.84
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162847650
1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 125417379
N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 162799473
1-(3-chlorophenyl)-3-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperazin-1-yl)oxolan-2-yl]methyl]urea;dihydrochloride
CID 146118680
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162799957
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
(2S,3R,4S)-4-[(1-methylimidazol-2-yl)methylamino]-2-[(4-methylpiperazin-1-yl)methyl]oxolan-3-ol
CID 125417665

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea (CID 125416955) is 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea is CN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea?
The InChIKey is JDQZIHQQUMFLTR-HRCADAONSA-N. The full InChI is InChI=1S/C17H25ClN4O3/c1-21-5-7-22(8-6-21)10-15-16(23)14(11-25-15)20-17(24)19-13-4-2-3-12(18)9-13/h2-4,9,14-16,23H,5-8,10-11H2,1H3,(H2,19,20,24)/t14-,15-,16+/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea?
1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea has a molecular weight of 368.87 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea is sourced from PubChem (CID 125416955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).