methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate

C19H25N5O3 — CID 137439485

IUPACmethyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
SMILES[H]/N=C(\C)c1ccc(-c2noc(C3CCC(NC(=O)OC)CC3)n2)cc1NC
InChIInChI=1S/C19H25N5O3/c1-11(20)15-9-6-13(10-16(15)21-2)17-23-18(27-24-17)12-4-7-14(8-5-12)22-19(25)26-3/h6,9-10,12,14,20-21H,4-5,7-8H2,1-3H3,(H,22,25)/b20-11+
InChIKeyUYJNJNMGSSJRPR-RGVLZGJSSA-N
MW371.44 g/mol
LogP3.55
Rot. Bonds5

About methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate

methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate (PubChem CID 137439485) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
PubChem CID137439485
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Namemethyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
SMILES[H]/N=C(\C)c1ccc(-c2noc(C3CCC(NC(=O)OC)CC3)n2)cc1NC
InChIInChI=1S/C19H25N5O3/c1-11(20)15-9-6-13(10-16(15)21-2)17-23-18(27-24-17)12-4-7-14(8-5-12)22-19(25)26-3/h6,9-10,12,14,20-21H,4-5,7-8H2,1-3H3,(H,22,25)/b20-11+
InChIKeyUYJNJNMGSSJRPR-RGVLZGJSSA-N
XLogP3.55
TPSA113.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate with MolForge

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Related Compounds

5-[5-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethanimidoyl-N-methylaniline
CID 142338249
1-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-(methylamino)ethanone;4-fluorobenzaldehyde
CID 142338226
tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
CID 134477858
methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864335
4-chlorobenzaldehyde;1-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-(methylamino)ethanone
CID 142573657
N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide
CID 139412760
N-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
CID 153307983
methyl 4-[3-[3-(difluoromethylamino)-4-methanimidoylphenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439726
N-[2-methanimidoyl-5-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-1,1-dioxothietan-3-amine
CID 153382529
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 82787758
tert-butyl 4-[3-[4-methanimidoyl-3-[(3-methoxycyclobutyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142338179
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine
CID 166269875

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate (CID 137439485) is methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate is [H]/N=C(\C)c1ccc(-c2noc(C3CCC(NC(=O)OC)CC3)n2)cc1NC.
What is the InChIKey of methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
The InChIKey is UYJNJNMGSSJRPR-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-11(20)15-9-6-13(10-16(15)21-2)17-23-18(27-24-17)12-4-7-14(8-5-12)22-19(25)26-3/h6,9-10,12,14,20-21H,4-5,7-8H2,1-3H3,(H,22,25)/b20-11+.
What are the key properties of methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate has a molecular weight of 371.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate is sourced from PubChem (CID 137439485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).