4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C14H11N7O — CID 154649342

IUPAC4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cnoc2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H11N7O/c15-14-19-12-5-8(11-3-4-16-21-11)1-2-10(12)13(20-14)18-9-6-17-22-7-9/h1-7H,(H,16,21)(H3,15,18,19,20)
InChIKeyKMFOCOXNWQMMHY-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.33
Rot. Bonds3

About 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649342) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649342
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cnoc2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H11N7O/c15-14-19-12-5-8(11-3-4-16-21-11)1-2-10(12)13(20-14)18-9-6-17-22-7-9/h1-7H,(H,16,21)(H3,15,18,19,20)
InChIKeyKMFOCOXNWQMMHY-UHFFFAOYSA-N
XLogP2.33
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649342) is 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(Nc2cnoc2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is KMFOCOXNWQMMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c15-14-19-12-5-8(11-3-4-16-21-11)1-2-10(12)13(20-14)18-9-6-17-22-7-9/h1-7H,(H,16,21)(H3,15,18,19,20).
What are the key properties of 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 293.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-oxazol-4-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).