1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one

C19H27N7O4 — CID 167768238

IUPAC1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one
SMILESCc1noc2ncnc(N3CCNC(=O)CCN(C(=O)C4CN(C)CCO4)CC3)c12
InChIInChI=1S/C19H27N7O4/c1-13-16-17(21-12-22-18(16)30-23-13)25-6-4-20-15(27)3-5-26(8-7-25)19(28)14-11-24(2)9-10-29-14/h12,14H,3-11H2,1-2H3,(H,20,27)
InChIKeyZXIWDWSVWKNTFG-UHFFFAOYSA-N
MW417.47 g/mol
LogP-0.59
Rot. Bonds2

About 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one

1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one (PubChem CID 167768238) has the molecular formula C19H27N7O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one.

Molecular Properties

Compound Name1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one
PubChem CID167768238
Molecular FormulaC19H27N7O4
Molecular Weight417.47 g/mol
Exact Mass417.21
IUPAC Name1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one
SMILESCc1noc2ncnc(N3CCNC(=O)CCN(C(=O)C4CN(C)CCO4)CC3)c12
InChIInChI=1S/C19H27N7O4/c1-13-16-17(21-12-22-18(16)30-23-13)25-6-4-20-15(27)3-5-26(8-7-25)19(28)14-11-24(2)9-10-29-14/h12,14H,3-11H2,1-2H3,(H,20,27)
InChIKeyZXIWDWSVWKNTFG-UHFFFAOYSA-N
XLogP-0.59
TPSA116.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-(4-methylmorpholine-2-carbonyl)-1,4,7-triazecan-8-one
CID 167825584
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 20929324
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 72898476
(4-benzylpiperazin-1-yl)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 20929323
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849
1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
CID 60707955
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 20929442
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
CID 62046071
(2R)-2-methyl-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 99836457
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 102563909
[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800283

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one?
The IUPAC name of 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one (CID 167768238) is 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one.
What is the SMILES notation for 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one?
The canonical SMILES for 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one is Cc1noc2ncnc(N3CCNC(=O)CCN(C(=O)C4CN(C)CCO4)CC3)c12.
What is the InChIKey of 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one?
The InChIKey is ZXIWDWSVWKNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O4/c1-13-16-17(21-12-22-18(16)30-23-13)25-6-4-20-15(27)3-5-26(8-7-25)19(28)14-11-24(2)9-10-29-14/h12,14H,3-11H2,1-2H3,(H,20,27).
What are the key properties of 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one?
1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one has a molecular weight of 417.47 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholine-2-carbonyl)-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4,7-triazecan-8-one is sourced from PubChem (CID 167768238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).