N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

C17H26N4O3 — CID 91765118

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H26N4O3/c22-16(18-12-14-19-15(24-20-14)13-4-5-13)17(6-2-1-3-7-17)21-8-10-23-11-9-21/h13H,1-12H2,(H,18,22)
InChIKeyTWZQCIVQVJUGIY-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.60
Rot. Bonds5

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 91765118) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID91765118
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H26N4O3/c22-16(18-12-14-19-15(24-20-14)13-4-5-13)17(6-2-1-3-7-17)21-8-10-23-11-9-21/h13H,1-12H2,(H,18,22)
InChIKeyTWZQCIVQVJUGIY-UHFFFAOYSA-N
XLogP1.60
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50977273
5-[[(1-morpholin-4-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652941
1-morpholin-4-yl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 118791034
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 131949110
1-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 118766127
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methyloxolane-2-carboxamide
CID 126446991
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
CID 86788406
trans-methyl (1R,2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
CID 99716354
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 125447060
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 91765118) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is O=C(NCc1noc(C2CC2)n1)C1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is TWZQCIVQVJUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-16(18-12-14-19-15(24-20-14)13-4-5-13)17(6-2-1-3-7-17)21-8-10-23-11-9-21/h13H,1-12H2,(H,18,22).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91765118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).