N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide

C20H35ClN6O2 — CID 140674697

IUPACN-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
SMILESCC1ONCC1C(=O)N/C(=N\C1CC(C2CCC(Cl)CC2)NN1)NC1CCCC1
InChIInChI=1S/C20H35ClN6O2/c1-12-16(11-22-29-12)19(28)25-20(23-15-4-2-3-5-15)24-18-10-17(26-27-18)13-6-8-14(21)9-7-13/h12-18,22,26-27H,2-11H2,1H3,(H2,23,24,25,28)
InChIKeyCCHJNPBTQDWOIH-UHFFFAOYSA-N
MW426.99 g/mol
LogP1.52
Rot. Bonds4

About N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide

N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide (PubChem CID 140674697) has the molecular formula C20H35ClN6O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
PubChem CID140674697
Molecular FormulaC20H35ClN6O2
Molecular Weight426.99 g/mol
Exact Mass426.25
IUPAC NameN-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
SMILESCC1ONCC1C(=O)N/C(=N\C1CC(C2CCC(Cl)CC2)NN1)NC1CCCC1
InChIInChI=1S/C20H35ClN6O2/c1-12-16(11-22-29-12)19(28)25-20(23-15-4-2-3-5-15)24-18-10-17(26-27-18)13-6-8-14(21)9-7-13/h12-18,22,26-27H,2-11H2,1H3,(H2,23,24,25,28)
InChIKeyCCHJNPBTQDWOIH-UHFFFAOYSA-N
XLogP1.52
TPSA98.81 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide 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

N-[(Z)-N'-[5-(3-chloro-5-fluorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
CID 140674737
N-[(E)-N-tert-butyl-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
CID 140674659
N-[(E)-N-tert-butyl-N'-[5-(3-chloro-5-fluorocyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
CID 140674744
N-[N'-(3-ethoxypropyl)-N-[5-(3-fluoro-4-methylcyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
CID 140674653
5-tert-butyl-N-[(E)-N-tert-butyl-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-2-methylpyrazolidine-3-carboxamide
CID 140674781
N-[(Z)-N-(3-fluorocyclohexyl)-N'-[5-(3-fluoro-4-hydroxycyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-1-methyl-3-(trifluoromethyl)pyrazolidine-4-carboxamide
CID 140674651
4-chloro-N-[(Z)-N'-[5-(3-chlorocyclohexyl)pyrazolidin-3-yl]-N-(3-chloro-5-fluorocyclohexyl)carbamimidoyl]-3-fluorocyclohexane-1-carboxamide
CID 140623045
3-cyano-N-[(E)-N'-[5-(4-fluorocyclohexyl)pyrazolidin-3-yl]-N-propan-2-ylcarbamimidoyl]cyclohexane-1-carboxamide
CID 140623055
N-[(E)-N-tert-butyl-N'-[5-(4-fluorocyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-4-hydroxycyclohexane-1-carboxamide
CID 140623251
N-[(E)-N-tert-butyl-N'-[5-(4-fluorocyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-2-fluoro-4-methoxycyclohexane-1-carboxamide
CID 140623336
2,4-difluoro-N-[(E)-N'-[5-(4-fluorocyclohexyl)pyrazolidin-3-yl]-N-[(2S)-1-methoxypropan-2-yl]carbamimidoyl]cyclohexane-1-carboxamide
CID 140623212
N-[(E)-N-tert-butyl-N'-[5-(3,5-difluorocyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-3-cyanocyclohexane-1-carboxamide
CID 140623160

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide (CID 140674697) is N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide is CC1ONCC1C(=O)N/C(=N\C1CC(C2CCC(Cl)CC2)NN1)NC1CCCC1.
What is the InChIKey of N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide?
The InChIKey is CCHJNPBTQDWOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35ClN6O2/c1-12-16(11-22-29-12)19(28)25-20(23-15-4-2-3-5-15)24-18-10-17(26-27-18)13-6-8-14(21)9-7-13/h12-18,22,26-27H,2-11H2,1H3,(H2,23,24,25,28).
What are the key properties of N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide?
N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide has a molecular weight of 426.99 g/mol, XLogP of 1.52, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 140674697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).