5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine

C20H19N5O2 — CID 70798389

IUPAC5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncnc(NC5CCOCC5)c4c3)ccc2o1
InChIInChI=1S/C20H19N5O2/c21-20-25-17-10-13(2-4-18(17)27-20)12-1-3-16-15(9-12)19(23-11-22-16)24-14-5-7-26-8-6-14/h1-4,9-11,14H,5-8H2,(H2,21,25)(H,22,23,24)
InChIKeyYFLHRKSRHBVCLA-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.61
Rot. Bonds3

About 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine

5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798389) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798389
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncnc(NC5CCOCC5)c4c3)ccc2o1
InChIInChI=1S/C20H19N5O2/c21-20-25-17-10-13(2-4-18(17)27-20)12-1-3-16-15(9-12)19(23-11-22-16)24-14-5-7-26-8-6-14/h1-4,9-11,14H,5-8H2,(H2,21,25)(H,22,23,24)
InChIKeyYFLHRKSRHBVCLA-UHFFFAOYSA-N
XLogP3.61
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-4-[[6-(3-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584401
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)benzo[d]oxazol-2-amine
CID 24983254
4-(2-(6-methyl-3,4-dihydro-2H-chromen-3-yl)benzo[d]oxazol-6-yl)pyrimidin-2-amine
CID 44562740
N-(2-morpholin-4-yl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 44384133
4-N-[4-[2-[4-(1,3-benzoxazol-2-ylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 118721239
5-[4-Morpholin-4-yl-6-[[4-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazin-2-yl]-1,3-benzoxazol-2-amine
CID 168281083
8-(3-Acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70684450
3-[[6-Methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol
CID 166632870
2-{4-[(Benzooxazol-5-ylmethyl)-amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl}-5-methyl-benzonitrile
CID 25059288
N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 45278624
2-[5-[2-(Cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide
CID 45278628
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 45278630

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine (CID 70798389) is 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncnc(NC5CCOCC5)c4c3)ccc2o1.
What is the InChIKey of 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is YFLHRKSRHBVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-20-25-17-10-13(2-4-18(17)27-20)12-1-3-16-15(9-12)19(23-11-22-16)24-14-5-7-26-8-6-14/h1-4,9-11,14H,5-8H2,(H2,21,25)(H,22,23,24).
What are the key properties of 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine?
5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxan-4-ylamino)quinazolin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).