N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C19H25N3O3 — CID 95904490

IUPACN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)NCCO[C@@H]3CCCC[C@H]3C)c2)o1
InChIInChI=1S/C19H25N3O3/c1-13-6-3-4-9-17(13)24-11-10-20-18(23)15-7-5-8-16(12-15)19-22-21-14(2)25-19/h5,7-8,12-13,17H,3-4,6,9-11H2,1-2H3,(H,20,23)/t13-,17-/m1/s1
InChIKeyPWOXLZKPBDCDPQ-CXAGYDPISA-N
MW343.43 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 95904490) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID95904490
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)NCCO[C@@H]3CCCC[C@H]3C)c2)o1
InChIInChI=1S/C19H25N3O3/c1-13-6-3-4-9-17(13)24-11-10-20-18(23)15-7-5-8-16(12-15)19-22-21-14(2)25-19/h5,7-8,12-13,17H,3-4,6,9-11H2,1-2H3,(H,20,23)/t13-,17-/m1/s1
InChIKeyPWOXLZKPBDCDPQ-CXAGYDPISA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
CID 51726082
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 99817536
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166416546
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 95617299
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-nitrofuran-2-carboxamide
CID 94121756
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
CID 55779851

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 95904490) is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2cccc(C(=O)NCCO[C@@H]3CCCC[C@H]3C)c2)o1.
What is the InChIKey of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PWOXLZKPBDCDPQ-CXAGYDPISA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-6-3-4-9-17(13)24-11-10-20-18(23)15-7-5-8-16(12-15)19-22-21-14(2)25-19/h5,7-8,12-13,17H,3-4,6,9-11H2,1-2H3,(H,20,23)/t13-,17-/m1/s1.
What are the key properties of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 95904490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).