(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate

C14H12N4O4 — CID 32611315

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCc1nnc(COC(=O)Cn2cnc3ccccc3c2=O)o1
InChIInChI=1S/C14H12N4O4/c1-9-16-17-12(22-9)7-21-13(19)6-18-8-15-11-5-3-2-4-10(11)14(18)20/h2-5,8H,6-7H2,1H3
InChIKeyKCTHUJCKKHPXHF-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.83
Rot. Bonds4

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 32611315) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID32611315
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCc1nnc(COC(=O)Cn2cnc3ccccc3c2=O)o1
InChIInChI=1S/C14H12N4O4/c1-9-16-17-12(22-9)7-21-13(19)6-18-8-15-11-5-3-2-4-10(11)14(18)20/h2-5,8H,6-7H2,1H3
InChIKeyKCTHUJCKKHPXHF-UHFFFAOYSA-N
XLogP0.83
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405582
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933838
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 7995089
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 7994878
ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55441835
(3,4-dimethylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 9097161
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 32611315) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate is Cc1nnc(COC(=O)Cn2cnc3ccccc3c2=O)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is KCTHUJCKKHPXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c1-9-16-17-12(22-9)7-21-13(19)6-18-8-15-11-5-3-2-4-10(11)14(18)20/h2-5,8H,6-7H2,1H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 300.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 32611315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).