4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline

C15H15N5O2 — CID 68761453

IUPAC4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)c3ncoc3n2)cc1
InChIInChI=1S/C15H15N5O2/c16-11-3-1-10(2-4-11)13-18-14(20-5-7-21-8-6-20)12-15(19-13)22-9-17-12/h1-4,9H,5-8,16H2
InChIKeySQRVZFNIXTXEPG-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.70
Rot. Bonds2

About 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline

4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline (PubChem CID 68761453) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline.

Molecular Properties

Compound Name4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
PubChem CID68761453
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)c3ncoc3n2)cc1
InChIInChI=1S/C15H15N5O2/c16-11-3-1-10(2-4-11)13-18-14(20-5-7-21-8-6-20)12-15(19-13)22-9-17-12/h1-4,9H,5-8,16H2
InChIKeySQRVZFNIXTXEPG-UHFFFAOYSA-N
XLogP1.70
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
CID 46201892
4-(4-morpholin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)aniline
CID 155807823
4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline
CID 145134799
4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]aniline
CID 46206789
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 67021827
4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
CID 143899780
4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
CID 110282201
2-[2-(4-aminophenyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol
CID 145420416
4-[2-(4-methylphenyl)-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine
CID 123987515

Frequently Asked Questions

What is the IUPAC name of 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline?
The IUPAC name of 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline (CID 68761453) is 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline.
What is the SMILES notation for 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline?
The canonical SMILES for 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline is Nc1ccc(-c2nc(N3CCOCC3)c3ncoc3n2)cc1.
What is the InChIKey of 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline?
The InChIKey is SQRVZFNIXTXEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-11-3-1-10(2-4-11)13-18-14(20-5-7-21-8-6-20)12-15(19-13)22-9-17-12/h1-4,9H,5-8,16H2.
What are the key properties of 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline?
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline has a molecular weight of 297.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline is sourced from PubChem (CID 68761453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).