N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide

C20H23N3O2 — CID 134123584

IUPACN'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(Nc2nc3ccccc3o2)C(C)(C)C)c1
InChIInChI=1S/C20H23N3O2/c1-13-10-14(2)12-15(11-13)18(24)23(20(3,4)5)22-19-21-16-8-6-7-9-17(16)25-19/h6-12H,1-5H3,(H,21,22)
InChIKeyCMSSLCZNWVOVKW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.71
Rot. Bonds3

About N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide

N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide (PubChem CID 134123584) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide
PubChem CID134123584
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(Nc2nc3ccccc3o2)C(C)(C)C)c1
InChIInChI=1S/C20H23N3O2/c1-13-10-14(2)12-15(11-13)18(24)23(20(3,4)5)22-19-21-16-8-6-7-9-17(16)25-19/h6-12H,1-5H3,(H,21,22)
InChIKeyCMSSLCZNWVOVKW-UHFFFAOYSA-N
XLogP4.71
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 59992458
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
CID 60707856
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N-(1,3-benzoxazol-2-yl)-3-methylthiophene-2-carboxamide
CID 112528150
3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide
CID 47283189
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide?
The IUPAC name of N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide (CID 134123584) is N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide?
The canonical SMILES for N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide is Cc1cc(C)cc(C(=O)N(Nc2nc3ccccc3o2)C(C)(C)C)c1.
What is the InChIKey of N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide?
The InChIKey is CMSSLCZNWVOVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-10-14(2)12-15(11-13)18(24)23(20(3,4)5)22-19-21-16-8-6-7-9-17(16)25-19/h6-12H,1-5H3,(H,21,22).
What are the key properties of N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide?
N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide has a molecular weight of 337.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 134123584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).