6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

C27H27N5O2 — CID 158157204

IUPAC6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCc1cncc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)c1
InChIInChI=1S/C27H27N5O2/c1-17-9-21(14-28-13-17)34-24-8-6-20(10-18(24)2)31-26-22-11-19(5-7-23(22)29-16-30-26)12-25-32-27(3,4)15-33-25/h5-11,13-14,16H,12,15H2,1-4H3,(H,29,30,31)
InChIKeyZBXTZMVUVOQCSV-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.93
Rot. Bonds6

About 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (PubChem CID 158157204) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
PubChem CID158157204
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCc1cncc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)c1
InChIInChI=1S/C27H27N5O2/c1-17-9-21(14-28-13-17)34-24-8-6-20(10-18(24)2)31-26-22-11-19(5-7-23(22)29-16-30-26)12-25-32-27(3,4)15-33-25/h5-11,13-14,16H,12,15H2,1-4H3,(H,29,30,31)
InChIKeyZBXTZMVUVOQCSV-UHFFFAOYSA-N
XLogP5.93
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,3-benzothiazol-6-yloxy)-3-methylphenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 58140039
N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 58140124
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 149171552
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 159896098
6-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58139887
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine
CID 159860027
4-N-[4-[(8-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]-3-methylphenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine
CID 137376389
N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
CID 141045085
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 58139959
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine
CID 159897101

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The IUPAC name of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (CID 158157204) is 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The canonical SMILES for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is Cc1cncc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)c1.
What is the InChIKey of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The InChIKey is ZBXTZMVUVOQCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-17-9-21(14-28-13-17)34-24-8-6-20(10-18(24)2)31-26-22-11-19(5-7-23(22)29-16-30-26)12-25-32-27(3,4)15-33-25/h5-11,13-14,16H,12,15H2,1-4H3,(H,29,30,31).
What are the key properties of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine has a molecular weight of 453.55 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 158157204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).