5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine

C23H26N6O — CID 70798828

IUPAC5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)N1CCC(Nc2ncnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1
InChIInChI=1S/C23H26N6O/c1-14(2)29-9-7-17(8-10-29)27-22-18-11-15(3-5-19(18)25-13-26-22)16-4-6-21-20(12-16)28-23(24)30-21/h3-6,11-14,17H,7-10H2,1-2H3,(H2,24,28)(H,25,26,27)
InChIKeyJLLWGCYXAWAIGO-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.30
Rot. Bonds4

About 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine

5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798828) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798828
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)N1CCC(Nc2ncnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1
InChIInChI=1S/C23H26N6O/c1-14(2)29-9-7-17(8-10-29)27-22-18-11-15(3-5-19(18)25-13-26-22)16-4-6-21-20(12-16)28-23(24)30-21/h3-6,11-14,17H,7-10H2,1-2H3,(H2,24,28)(H,25,26,27)
InChIKeyJLLWGCYXAWAIGO-UHFFFAOYSA-N
XLogP4.30
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

Ontazolast
CID 71458
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044
N-[(1R)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
CID 9862559
cis-N-(4-(4-amino-1-(4-(4-methylpiperazin-1-yl)cyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl)-5,7-dimethylbenzo[d]oxazol-2-amine
CID 20817080
cis-N-(4-(4-amino-1-(4-(4-methylpiperazin-1-yl)cyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)benzo[d]oxazol-2-amine
CID 20817086
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)benzo[d]oxazol-2-amine
CID 24983254
4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)methyl)benzamide
CID 25108841
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
N-(2-cyclohexyl-1-pyridin-4-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 10382325
N-(2-cyclohexyl-1-pyridin-3-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 10427091
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 11726246
4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 25170213

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine (CID 70798828) is 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine is CC(C)N1CCC(Nc2ncnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1.
What is the InChIKey of 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is JLLWGCYXAWAIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14(2)29-9-7-17(8-10-29)27-22-18-11-15(3-5-19(18)25-13-26-22)16-4-6-21-20(12-16)28-23(24)30-21/h3-6,11-14,17H,7-10H2,1-2H3,(H2,24,28)(H,25,26,27).
What are the key properties of 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine?
5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 402.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).