1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one

C17H21N5O3 — CID 97462890

IUPAC1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3=O)C2)no1
InChIInChI=1S/C17H21N5O3/c1-12-7-14(19-25-12)17(24)22-10-13(9-21-5-2-3-16(21)23)8-20-6-4-18-15(20)11-22/h4,6-7,13H,2-3,5,8-11H2,1H3/t13-/m1/s1
InChIKeySSSYPGPHVRMRJN-CYBMUJFWSA-N
MW343.39 g/mol
LogP1.07
Rot. Bonds3

About 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one

1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (PubChem CID 97462890) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
PubChem CID97462890
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3=O)C2)no1
InChIInChI=1S/C17H21N5O3/c1-12-7-14(19-25-12)17(24)22-10-13(9-21-5-2-3-16(21)23)8-20-6-4-18-15(20)11-22/h4,6-7,13H,2-3,5,8-11H2,1H3/t13-/m1/s1
InChIKeySSSYPGPHVRMRJN-CYBMUJFWSA-N
XLogP1.07
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[8-(pyrazine-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 131640521
1-[[(6S)-8-(3-methylfuran-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462889
[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131660494
(5-methyl-1,2-oxazol-3-yl)-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131658422
6-[(2-oxopyrrolidin-1-yl)methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 134069068
(5-cyclopropyl-1,2-oxazol-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131687603
1-[[8-(cyclobutylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 134076058
1-[[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155832877
1-[[(6S)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462867
1-[[(6S)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 124554762
1-[[(6S)-8-(pyridin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462865
1-[[8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155831111

Frequently Asked Questions

What is the IUPAC name of 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (CID 97462890) is 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is Cc1cc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3=O)C2)no1.
What is the InChIKey of 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The InChIKey is SSSYPGPHVRMRJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-7-14(19-25-12)17(24)22-10-13(9-21-5-2-3-16(21)23)8-20-6-4-18-15(20)11-22/h4,6-7,13H,2-3,5,8-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one has a molecular weight of 343.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6R)-8-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97462890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).