N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide

C18H22ClN3O3 — CID 170505512

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C18H22ClN3O3/c19-14-3-7-16(8-4-14)24-11-9-20-17(23)13-1-5-15(6-2-13)22-18-21-10-12-25-18/h3-4,7-8,10,12-13,15H,1-2,5-6,9,11H2,(H,20,23)(H,21,22)
InChIKeyRKLMAFFHDVMZIM-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 170505512) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide
PubChem CID170505512
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C18H22ClN3O3/c19-14-3-7-16(8-4-14)24-11-9-20-17(23)13-1-5-15(6-2-13)22-18-21-10-12-25-18/h3-4,7-8,10,12-13,15H,1-2,5-6,9,11H2,(H,20,23)(H,21,22)
InChIKeyRKLMAFFHDVMZIM-UHFFFAOYSA-N
XLogP3.49
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-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-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46438037
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
tert-butyl N-[(3R,6S)-6-[2-(4-chlorophenoxy)ethylcarbamoyl]oxan-3-yl]carbamate
CID 150866994
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide (CID 170505512) is N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide is O=C(NCCOc1ccc(Cl)cc1)C1CCC(Nc2ncco2)CC1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is RKLMAFFHDVMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-14-3-7-16(8-4-14)24-11-9-20-17(23)13-1-5-15(6-2-13)22-18-21-10-12-25-18/h3-4,7-8,10,12-13,15H,1-2,5-6,9,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 170505512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).