1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide

C14H17N3O2 — CID 116844450

IUPAC1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide
SMILESCc1nc2ccc(C3(C(=O)NN)CCCC3)cc2o1
InChIInChI=1S/C14H17N3O2/c1-9-16-11-5-4-10(8-12(11)19-9)14(13(18)17-15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,17,18)
InChIKeyVZFIHXOSFNMBMR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.94
Rot. Bonds2

About 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide

1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide (PubChem CID 116844450) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide
PubChem CID116844450
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide
SMILESCc1nc2ccc(C3(C(=O)NN)CCCC3)cc2o1
InChIInChI=1S/C14H17N3O2/c1-9-16-11-5-4-10(8-12(11)19-9)14(13(18)17-15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,17,18)
InChIKeyVZFIHXOSFNMBMR-UHFFFAOYSA-N
XLogP1.94
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide
CID 86828959
[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 116921658
2-methyl-6-(2-methylpiperazin-2-yl)-1,3-benzoxazole
CID 116856326
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide
CID 101078185

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide?
The IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide (CID 116844450) is 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide.
What is the SMILES notation for 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide?
The canonical SMILES for 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide is Cc1nc2ccc(C3(C(=O)NN)CCCC3)cc2o1.
What is the InChIKey of 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide?
The InChIKey is VZFIHXOSFNMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-16-11-5-4-10(8-12(11)19-9)14(13(18)17-15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,17,18).
What are the key properties of 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide?
1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide has a molecular weight of 259.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide is sourced from PubChem (CID 116844450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).