2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one

C20H18N4O2 — CID 135687482

IUPAC2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1coc(-c2ccccc2)n1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H18N4O2/c1-24(11-15-13-26-20(21-15)14-7-3-2-4-8-14)12-18-22-17-10-6-5-9-16(17)19(25)23-18/h2-10,13H,11-12H2,1H3,(H,22,23,25)
InChIKeyRDIDIVALLCKJKR-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.21
Rot. Bonds5

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

2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135687482) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135687482
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1coc(-c2ccccc2)n1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H18N4O2/c1-24(11-15-13-26-20(21-15)14-7-3-2-4-8-14)12-18-22-17-10-6-5-9-16(17)19(25)23-18/h2-10,13H,11-12H2,1H3,(H,22,23,25)
InChIKeyRDIDIVALLCKJKR-UHFFFAOYSA-N
XLogP3.21
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135811807
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135579792
2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
CID 135535644
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one (CID 135687482) is 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one is CN(Cc1coc(-c2ccccc2)n1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is RDIDIVALLCKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24(11-15-13-26-20(21-15)14-7-3-2-4-8-14)12-18-22-17-10-6-5-9-16(17)19(25)23-18/h2-10,13H,11-12H2,1H3,(H,22,23,25).
What are the key properties of 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 346.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135687482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).