N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide

C19H26N4O3 — CID 9271390

IUPACN'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2c(C)noc2C(C)C)cc1
InChIInChI=1S/C19H26N4O3/c1-6-23(7-2)15-10-8-14(9-11-15)18(24)20-21-19(25)16-13(5)22-26-17(16)12(3)4/h8-12H,6-7H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyOLHKKMMUVWGIGB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.03
Rot. Bonds6

About N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide

N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide (PubChem CID 9271390) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
PubChem CID9271390
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2c(C)noc2C(C)C)cc1
InChIInChI=1S/C19H26N4O3/c1-6-23(7-2)15-10-8-14(9-11-15)18(24)20-21-19(25)16-13(5)22-26-17(16)12(3)4/h8-12H,6-7H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyOLHKKMMUVWGIGB-UHFFFAOYSA-N
XLogP3.03
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide (CID 9271390) is N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)c2c(C)noc2C(C)C)cc1.
What is the InChIKey of N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The InChIKey is OLHKKMMUVWGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-6-23(7-2)15-10-8-14(9-11-15)18(24)20-21-19(25)16-13(5)22-26-17(16)12(3)4/h8-12H,6-7H2,1-5H3,(H,20,24)(H,21,25).
What are the key properties of N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide has a molecular weight of 358.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9271390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).