7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

C15H12N4O3 — CID 135627059

IUPAC7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4cnc(=O)[nH]c4)nc3cc21
InChIInChI=1S/C15H12N4O3/c1-15(2)8-3-10-11(4-9(8)19-13(15)20)22-12(18-10)7-5-16-14(21)17-6-7/h3-6H,1-2H3,(H,19,20)(H,16,17,21)
InChIKeyHIQPHGREWAVKNS-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.81
Rot. Bonds1

About 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (PubChem CID 135627059) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
PubChem CID135627059
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4cnc(=O)[nH]c4)nc3cc21
InChIInChI=1S/C15H12N4O3/c1-15(2)8-3-10-11(4-9(8)19-13(15)20)22-12(18-10)7-5-16-14(21)17-6-7/h3-6H,1-2H3,(H,19,20)(H,16,17,21)
InChIKeyHIQPHGREWAVKNS-UHFFFAOYSA-N
XLogP1.81
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one with MolForge

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Related Compounds

N-(2-phenyl-1,3-benzoxazol-6-yl)acetamide
CID 1084683
2-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-4-carboxamide
CID 71532413
2-[(2,5-Dimethyl-1,3-benzoxazol-6-yl)amino]-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291118
2-(4-Ethylphenyl)benzo[d]oxazol-6-amine
CID 25269943
US11918568, Example 2
CID 156332910
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide
CID 6460162
2-(4-Tert-butylphenyl)-1,3-benzoxazol-6-amine
CID 16490756
N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide
CID 110728864
2-[5-[4-(dimethylamino)phenyl]-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide
CID 46107699
N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 291889
N-[5-methyl-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide
CID 90462012
2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 2824073

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The IUPAC name of 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (CID 135627059) is 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is CC1(C)C(=O)Nc2cc3oc(-c4cnc(=O)[nH]c4)nc3cc21.
What is the InChIKey of 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The InChIKey is HIQPHGREWAVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-15(2)8-3-10-11(4-9(8)19-13(15)20)22-12(18-10)7-5-16-14(21)17-6-7/h3-6H,1-2H3,(H,19,20)(H,16,17,21).
What are the key properties of 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one has a molecular weight of 296.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is sourced from PubChem (CID 135627059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).