2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one

C14H13N5O2 — CID 143498838

IUPAC2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one
SMILESC=CCc1cnc(Nc2ccc3nc(N)[nH]c(=O)c3c2)o1
InChIInChI=1S/C14H13N5O2/c1-2-3-9-7-16-14(21-9)17-8-4-5-11-10(6-8)12(20)19-13(15)18-11/h2,4-7H,1,3H2,(H,16,17)(H3,15,18,19,20)
InChIKeyGQKAUAVXWZSOOX-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one

2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 143498838) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one
PubChem CID143498838
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one
SMILESC=CCc1cnc(Nc2ccc3nc(N)[nH]c(=O)c3c2)o1
InChIInChI=1S/C14H13N5O2/c1-2-3-9-7-16-14(21-9)17-8-4-5-11-10(6-8)12(20)19-13(15)18-11/h2,4-7H,1,3H2,(H,16,17)(H3,15,18,19,20)
InChIKeyGQKAUAVXWZSOOX-UHFFFAOYSA-N
XLogP1.97
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one (CID 143498838) is 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one is C=CCc1cnc(Nc2ccc3nc(N)[nH]c(=O)c3c2)o1.
What is the InChIKey of 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is GQKAUAVXWZSOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-3-9-7-16-14(21-9)17-8-4-5-11-10(6-8)12(20)19-13(15)18-11/h2,4-7H,1,3H2,(H,16,17)(H3,15,18,19,20).
What are the key properties of 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one?
2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 283.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(5-prop-2-enyl-1,3-oxazol-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 143498838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).