5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide

C20H20N4O4 — CID 11199849

IUPAC5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Oc3ccncc3)cc2)no1
InChIInChI=1S/C20H20N4O4/c1-20(2,3)17-12-16(24-28-17)19(26)23-22-18(25)13-4-6-14(7-5-13)27-15-8-10-21-11-9-15/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyCMYFXNMTWKMFQB-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.23
Rot. Bonds4

About 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide

5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 11199849) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
PubChem CID11199849
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Oc3ccncc3)cc2)no1
InChIInChI=1S/C20H20N4O4/c1-20(2,3)17-12-16(24-28-17)19(26)23-22-18(25)13-4-6-14(7-5-13)27-15-8-10-21-11-9-15/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyCMYFXNMTWKMFQB-UHFFFAOYSA-N
XLogP3.23
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11451854
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11199895
4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 11441514
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide
CID 143053139
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
CID 4109679
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-ethylbenzamide
CID 143053456
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 44541623

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide (CID 11199849) is 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide is CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Oc3ccncc3)cc2)no1.
What is the InChIKey of 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is CMYFXNMTWKMFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-20(2,3)17-12-16(24-28-17)19(26)23-22-18(25)13-4-6-14(7-5-13)27-15-8-10-21-11-9-15/h4-12H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide?
5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 11199849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).