1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea

C15H20N4O4 — CID 14627711

IUPAC1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1c2cc3nonc3cc2OC(C)(C)C1O
InChIInChI=1S/C15H20N4O4/c1-7(2)16-14(21)17-12-8-5-9-10(19-23-18-9)6-11(8)22-15(3,4)13(12)20/h5-7,12-13,20H,1-4H3,(H2,16,17,21)
InChIKeyOSDIXZRQHZSGKB-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.50
Rot. Bonds2

About 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea

1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea (PubChem CID 14627711) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea
PubChem CID14627711
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1c2cc3nonc3cc2OC(C)(C)C1O
InChIInChI=1S/C15H20N4O4/c1-7(2)16-14(21)17-12-8-5-9-10(19-23-18-9)6-11(8)22-15(3,4)13(12)20/h5-7,12-13,20H,1-4H3,(H2,16,17,21)
InChIKeyOSDIXZRQHZSGKB-UHFFFAOYSA-N
XLogP1.50
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea (CID 14627711) is 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1c2cc3nonc3cc2OC(C)(C)C1O.
What is the InChIKey of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea?
The InChIKey is OSDIXZRQHZSGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-7(2)16-14(21)17-12-8-5-9-10(19-23-18-9)6-11(8)22-15(3,4)13(12)20/h5-7,12-13,20H,1-4H3,(H2,16,17,21).
What are the key properties of 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea?
1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea has a molecular weight of 320.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-propan-2-ylurea is sourced from PubChem (CID 14627711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).