2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone

C16H25N5O3 — CID 97442826

IUPAC2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
SMILESCN(C)CC(=O)N1Cc2nc(C(=O)N3CCCN(C)CC3)oc2C1
InChIInChI=1S/C16H25N5O3/c1-18(2)11-14(22)21-9-12-13(10-21)24-15(17-12)16(23)20-6-4-5-19(3)7-8-20/h4-11H2,1-3H3
InChIKeyOVWYETTVMSVFEL-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.14
Rot. Bonds3

About 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone

2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone (PubChem CID 97442826) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
PubChem CID97442826
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
SMILESCN(C)CC(=O)N1Cc2nc(C(=O)N3CCCN(C)CC3)oc2C1
InChIInChI=1S/C16H25N5O3/c1-18(2)11-14(22)21-9-12-13(10-21)24-15(17-12)16(23)20-6-4-5-19(3)7-8-20/h4-11H2,1-3H3
InChIKeyOVWYETTVMSVFEL-UHFFFAOYSA-N
XLogP-0.14
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407305
5-[2-(dimethylamino)acetyl]-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407310
5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97410648
[5-(Cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 97515419
[5-(Cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 97525772
(4-Methyl-1,4-diazepan-1-yl)-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)methanone
CID 97525821
Tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate
CID 83949617
N-butan-2-yl-5-(2-hydroxyethyl)-N-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827950
2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide
CID 97404562

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone (CID 97442826) is 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone is CN(C)CC(=O)N1Cc2nc(C(=O)N3CCCN(C)CC3)oc2C1.
What is the InChIKey of 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone?
The InChIKey is OVWYETTVMSVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-18(2)11-14(22)21-9-12-13(10-21)24-15(17-12)16(23)20-6-4-5-19(3)7-8-20/h4-11H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone?
2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone is sourced from PubChem (CID 97442826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).