N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine

C26H27N5O — CID 108778919

IUPACN-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCc1cc(C)c2nc(-n3nc(C)cc3Nc3nc4cc(C(C)C)ccc4o3)cc(C)c2c1
InChIInChI=1S/C26H27N5O/c1-14(2)19-7-8-22-21(13-19)27-26(32-22)29-24-12-18(6)30-31(24)23-11-16(4)20-10-15(3)9-17(5)25(20)28-23/h7-14H,1-6H3,(H,27,29)
InChIKeyFRPAMABTQMVTTB-UHFFFAOYSA-N
MW425.54 g/mol
LogP6.66
Rot. Bonds4

About N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine

N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 108778919) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID108778919
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCc1cc(C)c2nc(-n3nc(C)cc3Nc3nc4cc(C(C)C)ccc4o3)cc(C)c2c1
InChIInChI=1S/C26H27N5O/c1-14(2)19-7-8-22-21(13-19)27-26(32-22)29-24-12-18(6)30-31(24)23-11-16(4)20-10-15(3)9-17(5)25(20)28-23/h7-14H,1-6H3,(H,27,29)
InChIKeyFRPAMABTQMVTTB-UHFFFAOYSA-N
XLogP6.66
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1,3-benzothiazol-2-amine
CID 108778922
2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate
CID 108746882
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 108778926
3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 108805486
ethyl 5-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779078
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108806624
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 108746908
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108772054
1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 108769084
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
4-(5-chloro-2-methoxyphenyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108746925

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine (CID 108778919) is N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine is Cc1cc(C)c2nc(-n3nc(C)cc3Nc3nc4cc(C(C)C)ccc4o3)cc(C)c2c1.
What is the InChIKey of N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is FRPAMABTQMVTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-14(2)19-7-8-22-21(13-19)27-26(32-22)29-24-12-18(6)30-31(24)23-11-16(4)20-10-15(3)9-17(5)25(20)28-23/h7-14H,1-6H3,(H,27,29).
What are the key properties of N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 425.54 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 108778919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).