(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C18H25N5O2 — CID 131695429

IUPAC(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1ncoc1C(=O)N1Cc2ccnn2CCC1CN1CCCCC1
InChIInChI=1S/C18H25N5O2/c1-14-17(25-13-19-14)18(24)22-12-16-5-7-20-23(16)10-6-15(22)11-21-8-3-2-4-9-21/h5,7,13,15H,2-4,6,8-12H2,1H3
InChIKeyYSMOGVUGWOJMHN-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.08
Rot. Bonds3

About (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 131695429) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID131695429
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1ncoc1C(=O)N1Cc2ccnn2CCC1CN1CCCCC1
InChIInChI=1S/C18H25N5O2/c1-14-17(25-13-19-14)18(24)22-12-16-5-7-20-23(16)10-6-15(22)11-21-8-3-2-4-9-21/h5,7,13,15H,2-4,6,8-12H2,1H3
InChIKeyYSMOGVUGWOJMHN-UHFFFAOYSA-N
XLogP2.08
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone with MolForge

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Related Compounds

4-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyrimidin-6-one
CID 137212873
(2-methylfuran-3-yl)-[6-(morpholin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131695501
[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 131695062
N-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124810694
ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79487941
1-[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(dimethylamino)ethanone
CID 131696096
(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024608
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
1-[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(2-methylphenyl)ethanone
CID 131694577
N-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124812571
N-[(5-propanoyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl)methyl]methanesulfonamide
CID 131695319
N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide
CID 131694538

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 131695429) is (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Cc1ncoc1C(=O)N1Cc2ccnn2CCC1CN1CCCCC1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is YSMOGVUGWOJMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-17(25-13-19-14)18(24)22-12-16-5-7-20-23(16)10-6-15(22)11-21-8-3-2-4-9-21/h5,7,13,15H,2-4,6,8-12H2,1H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 131695429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).