3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one

C19H15N3O3 — CID 18282371

IUPAC3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)co2)cc1
InChIInChI=1S/C19H15N3O3/c1-24-15-8-6-13(7-9-15)18-21-14(11-25-18)10-22-12-20-17-5-3-2-4-16(17)19(22)23/h2-9,11-12H,10H2,1H3
InChIKeyHIKAKCITWZNQPT-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.11
Rot. Bonds4

About 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one

3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one (PubChem CID 18282371) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
PubChem CID18282371
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)co2)cc1
InChIInChI=1S/C19H15N3O3/c1-24-15-8-6-13(7-9-15)18-21-14(11-25-18)10-22-12-20-17-5-3-2-4-16(17)19(22)23/h2-9,11-12H,10H2,1H3
InChIKeyHIKAKCITWZNQPT-UHFFFAOYSA-N
XLogP3.11
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 31808004
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 55602752
11-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 38849760
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one
CID 46484281
2-(4-methoxyphenyl)-4-(quinolin-4-ylsulfanylmethyl)-1,3-oxazole
CID 56583626
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426
2-(4-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56658949
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
CID 18290993
2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole
CID 30835415
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 9405860
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 43058473
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
CID 18288236

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one (CID 18282371) is 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one is COc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)co2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is HIKAKCITWZNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-24-15-8-6-13(7-9-15)18-21-14(11-25-18)10-22-12-20-17-5-3-2-4-16(17)19(22)23/h2-9,11-12H,10H2,1H3.
What are the key properties of 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one?
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 333.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 18282371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).