N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride

C19H27ClN4O2 — CID 120893378

IUPACN-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(Cc1nc(-c2ccc(CN)cc2)no1)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(21-19(24)16-5-3-2-4-6-16)11-17-22-18(23-25-17)15-9-7-14(12-20)8-10-15;/h7-10,13,16H,2-6,11-12,20H2,1H3,(H,21,24);1H
InChIKeyKJUCQUXRDHWCRL-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.24
Rot. Bonds6

About N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120893378) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID120893378
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC NameN-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(Cc1nc(-c2ccc(CN)cc2)no1)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(21-19(24)16-5-3-2-4-6-16)11-17-22-18(23-25-17)15-9-7-14(12-20)8-10-15;/h7-10,13,16H,2-6,11-12,20H2,1H3,(H,21,24);1H
InChIKeyKJUCQUXRDHWCRL-UHFFFAOYSA-N
XLogP3.24
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 120893433
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 83280920
2-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-piperidin-1-ylethanone;hydrochloride
CID 120892860
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
CID 170864938
1-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120893284
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927808
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927036

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 120893378) is N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride is CC(Cc1nc(-c2ccc(CN)cc2)no1)NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is KJUCQUXRDHWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-13(21-19(24)16-5-3-2-4-6-16)11-17-22-18(23-25-17)15-9-7-14(12-20)8-10-15;/h7-10,13,16H,2-6,11-12,20H2,1H3,(H,21,24);1H.
What are the key properties of N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120893378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).