2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C20H27ClN6O3 — CID 2197520

IUPAC2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H27ClN6O3/c21-16-4-6-17(7-5-16)22-19(28)30-15-12-27-18(23-24-25-27)20(8-2-1-3-9-20)26-10-13-29-14-11-26/h4-7H,1-3,8-15H2,(H,22,28)
InChIKeyWTRRYTJSKZCPDU-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.07
Rot. Bonds6

About 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 2197520) has the molecular formula C20H27ClN6O3 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID2197520
Molecular FormulaC20H27ClN6O3
Molecular Weight434.93 g/mol
Exact Mass434.18
IUPAC Name2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H27ClN6O3/c21-16-4-6-17(7-5-16)22-19(28)30-15-12-27-18(23-24-25-27)20(8-2-1-3-9-20)26-10-13-29-14-11-26/h4-7H,1-3,8-15H2,(H,22,28)
InChIKeyWTRRYTJSKZCPDU-UHFFFAOYSA-N
XLogP3.07
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate with MolForge

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Related Compounds

2-(5-{[4-(dimethylamino)phenyl](morpholin-4-yl)methyl}-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 645507
N-(4-chlorophenyl)-N-[1-(1-cyclohexyl-1H-tetraazol-5-yl)cyclohexyl]amine
CID 1034633
2-(5-(1-(Dimethylamino)cyclohexyl)-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 1304886
2-(5-{1-[acetyl(methyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl 4-chlorophenylcarbamate
CID 3240278
2-(5-{1-[(methoxyacetyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl 4-chlorophenylcarbamate
CID 3944840
2-{5-[1-(acetylamino)cyclopentyl]-1H-tetrazol-1-yl}ethyl 4-chlorophenylcarbamate
CID 3745640
2-{5-[1-(4-methylanilino)cyclohexyl]-1H-tetrazol-1-yl}ethyl (4-chlorophenyl)carbamate
CID 1078844
2-{5-[1-(acetylamino)cyclohexyl]-1H-tetrazol-1-yl}ethyl (4-chlorophenyl)carbamate
CID 2946292
(4-Chloro-phenyl)-carbamic acid 2-{5-[(2-chloro-phenyl)-morpholin-4-yl-methyl]-tetrazol-1-yl}-ethyl ester
CID 3136029
2-{5-[morpholin-4-yl(phenyl)methyl]-1H-tetrazol-1-yl}ethyl 4-chlorophenylcarbamate
CID 3242324
2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 3497585
2-(5-{1-[(methoxyacetyl)(methyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 2944922

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 2197520) is 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is WTRRYTJSKZCPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN6O3/c21-16-4-6-17(7-5-16)22-19(28)30-15-12-27-18(23-24-25-27)20(8-2-1-3-9-20)26-10-13-29-14-11-26/h4-7H,1-3,8-15H2,(H,22,28).
What are the key properties of 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 434.93 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 2197520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).