N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

C19H25N7O2 — CID 120566411

IUPACN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2ccc(-c3n[nH]c(CN)n3)cc2)n1
InChIInChI=1S/C19H25N7O2/c1-19(2,3)18-23-16(28-26-18)6-4-5-15(27)21-13-9-7-12(8-10-13)17-22-14(11-20)24-25-17/h7-10H,4-6,11,20H2,1-3H3,(H,21,27)(H,22,24,25)
InChIKeyLEIZXVVXPTWRSD-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.57
Rot. Bonds7

About N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 120566411) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID120566411
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2ccc(-c3n[nH]c(CN)n3)cc2)n1
InChIInChI=1S/C19H25N7O2/c1-19(2,3)18-23-16(28-26-18)6-4-5-15(27)21-13-9-7-12(8-10-13)17-22-14(11-20)24-25-17/h7-10H,4-6,11,20H2,1-3H3,(H,21,27)(H,22,24,25)
InChIKeyLEIZXVVXPTWRSD-UHFFFAOYSA-N
XLogP2.57
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(4-methylphenyl)butanamide;hydrochloride
CID 120567056
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 120567008
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-methylpentanamide;hydrochloride
CID 120566330
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
CID 55670940
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120566818
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3,3,3-trifluoropropanamide
CID 120566433
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(diethylamino)acetamide;dihydrochloride
CID 120566238
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(2-phenylethoxy)butanamide
CID 120567033
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120566722
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-cyclobutylpropanamide;hydrochloride
CID 120566270

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (CID 120566411) is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)(C)c1noc(CCCC(=O)Nc2ccc(-c3n[nH]c(CN)n3)cc2)n1.
What is the InChIKey of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is LEIZXVVXPTWRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-19(2,3)18-23-16(28-26-18)6-4-5-15(27)21-13-9-7-12(8-10-13)17-22-14(11-20)24-25-17/h7-10H,4-6,11,20H2,1-3H3,(H,21,27)(H,22,24,25).
What are the key properties of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 383.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 120566411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).