2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine

C67H86N12O2 — CID 158147077

About 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine

2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine (PubChem CID 158147077) has the molecular formula C67H86N12O2 and a molecular weight of 1091.51 g/mol. Its IUPAC name is 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine.

Molecular Properties

• Compound Name: 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
• PubChem CID: 158147077
• Molecular Formula: C67H86N12O2
• Molecular Weight: 1091.51 g/mol
• Exact Mass: 1090.70
• IUPAC Name: 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
• SMILES: CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc2c(N)ncnc2c1.CC(C)c1cnc2c(N)noc2c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)cc2onc(N)c12.Cc1cc(C(C)C)ccc1CN
• InChI: InChI=1S/C13H17N.C12H14N2.C11H13N3.C11H14N2O.C11H17N.C9H11N3O/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-7(2)8-3-4-9-10(5-8)13-6-14-11(9)12;1-6(2)8-4-7(3)10-9(5-8)14-13-11(10)12;1-8(2)10-4-5-11(7-12)9(3)6-10;1-5(2)6-3-7-8(11-4-6)9(10)12-13-7/h5-8,14H,1-4H3;3-9H,1-2H3,(H,13,14);3-7H,1-2H3,(H2,12,13,14);4-6H,1-3H3,(H2,12,13);4-6,8H,7,12H2,1-3H3;3-5H,1-2H3,(H2,10,12)
• InChIKey: FUQMNPALQLAFKG-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 239.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1091.51
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?

The IUPAC name of 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine (CID 158147077) is 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine.

What is the SMILES notation for 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?

The canonical SMILES for 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine is CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc2c(N)ncnc2c1.CC(C)c1cnc2c(N)noc2c1.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)cc2onc(N)c12.Cc1cc(C(C)C)ccc1CN.

What is the InChIKey of 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?

The InChIKey is FUQMNPALQLAFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C12H14N2.C11H13N3.C11H14N2O.C11H17N.C9H11N3O/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-7(2)8-3-4-9-10(5-8)13-6-14-11(9)12;1-6(2)8-4-7(3)10-9(5-8)14-13-11(10)12;1-8(2)10-4-5-11(7-12)9(3)6-10;1-5(2)6-3-7-8(11-4-6)9(10)12-13-7/h5-8,14H,1-4H3;3-9H,1-2H3,(H,13,14);3-7H,1-2H3,(H2,12,13,14);4-6H,1-3H3,(H2,12,13);4-6,8H,7,12H2,1-3H3;3-5H,1-2H3,(H2,10,12).

What are the key properties of 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?

2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine has a molecular weight of 1091.51 g/mol, XLogP of 16.79, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-5-propan-2-yl-1H-indole;4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 158147077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).