N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide

C17H21N5O3 — CID 86283629

IUPACN-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)c1ccno1
InChIInChI=1S/C17H21N5O3/c23-16(15-5-6-19-25-15)18-10-13-9-14-11-21(7-2-8-22(14)20-13)17(24)12-3-1-4-12/h5-6,9,12H,1-4,7-8,10-11H2,(H,18,23)
InChIKeyHZUCBAJLZQUSFM-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.33
Rot. Bonds4

About N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 86283629) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID86283629
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)c1ccno1
InChIInChI=1S/C17H21N5O3/c23-16(15-5-6-19-25-15)18-10-13-9-14-11-21(7-2-8-22(14)20-13)17(24)12-3-1-4-12/h5-6,9,12H,1-4,7-8,10-11H2,(H,18,23)
InChIKeyHZUCBAJLZQUSFM-UHFFFAOYSA-N
XLogP1.33
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 70734598
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 72907233
(2R)-N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 96579560
1-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-phenylurea
CID 70741663
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 70720324
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-propyl-1,2-oxazole-4-carboxamide
CID 118767215
cyclobutyl-[2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 70767265
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 72853888
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 70720408
1-[(2R)-butan-2-yl]-3-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 96580555
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-fluoro-3-methylbenzamide
CID 118766639

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide (CID 86283629) is N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)c1ccno1.
What is the InChIKey of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is HZUCBAJLZQUSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-16(15-5-6-19-25-15)18-10-13-9-14-11-21(7-2-8-22(14)20-13)17(24)12-3-1-4-12/h5-6,9,12H,1-4,7-8,10-11H2,(H,18,23).
What are the key properties of N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86283629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).