(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone

C19H28N6O2 — CID 92625003

IUPAC(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1onc(C(C)C)c1C(=O)N1CCC[C@H]1c1nnc2n1CCN(C)CC2
InChIInChI=1S/C19H28N6O2/c1-12(2)17-16(13(3)27-22-17)19(26)24-8-5-6-14(24)18-21-20-15-7-9-23(4)10-11-25(15)18/h12,14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyUVYVPNQWYSYTIS-AWEZNQCLSA-N
MW372.47 g/mol
LogP2.16
Rot. Bonds3

About (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone

(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 92625003) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID92625003
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1onc(C(C)C)c1C(=O)N1CCC[C@H]1c1nnc2n1CCN(C)CC2
InChIInChI=1S/C19H28N6O2/c1-12(2)17-16(13(3)27-22-17)19(26)24-8-5-6-14(24)18-21-20-15-7-9-23(4)10-11-25(15)18/h12,14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyUVYVPNQWYSYTIS-AWEZNQCLSA-N
XLogP2.16
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110104434
2-methyl-1-[(2S)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 95804656
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124995807
1-[2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 110268524
1-[4-(methylamino)-2-[(2S)-1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92623016
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125005114
[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 92617256
1-[3-(1-acetylpyrrolidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110262958
1-[3-[(2S)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95833815
[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 110263562
2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95832869
2-(3-fluorophenyl)-2-methyl-1-[2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 110262998

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone (CID 92625003) is (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone is Cc1onc(C(C)C)c1C(=O)N1CCC[C@H]1c1nnc2n1CCN(C)CC2.
What is the InChIKey of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UVYVPNQWYSYTIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12(2)17-16(13(3)27-22-17)19(26)24-8-5-6-14(24)18-21-20-15-7-9-23(4)10-11-25(15)18/h12,14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone?
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92625003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).