N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine

C19H25N5O — CID 133477470

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(-c2noc(NC(C)c3cn(C(C)(C)C)nc3C)n2)cc1
InChIInChI=1S/C19H25N5O/c1-12-7-9-15(10-8-12)17-21-18(25-23-17)20-13(2)16-11-24(19(4,5)6)22-14(16)3/h7-11,13H,1-6H3,(H,20,21,23)
InChIKeyGLRBRSKTALPQPX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.48
Rot. Bonds4

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 133477470) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID133477470
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(-c2noc(NC(C)c3cn(C(C)(C)C)nc3C)n2)cc1
InChIInChI=1S/C19H25N5O/c1-12-7-9-15(10-8-12)17-21-18(25-23-17)20-13(2)16-11-24(19(4,5)6)22-14(16)3/h7-11,13H,1-6H3,(H,20,21,23)
InChIKeyGLRBRSKTALPQPX-UHFFFAOYSA-N
XLogP4.48
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133477464
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
CID 133477273
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
CID 133477638
5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 154736177
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine
CID 133477434
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133477603
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
2-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 133477506
methyl 2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-4-chloro-1,3-thiazole-5-carboxylate
CID 133477609
N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 133466528

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 133477470) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is Cc1ccc(-c2noc(NC(C)c3cn(C(C)(C)C)nc3C)n2)cc1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is GLRBRSKTALPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-7-9-15(10-8-12)17-21-18(25-23-17)20-13(2)16-11-24(19(4,5)6)22-14(16)3/h7-11,13H,1-6H3,(H,20,21,23).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 339.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133477470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).