3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide

C18H23N3O6 — CID 9273624

IUPAC3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c(C)noc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C18H23N3O6/c1-9(2)15-14(10(3)21-27-15)18(23)20-19-17(22)11-7-12(24-4)16(26-6)13(8-11)25-5/h7-9H,1-6H3,(H,19,22)(H,20,23)
InChIKeyFNGDTHWNUDJDEI-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.21
Rot. Bonds6

About 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide

3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide (PubChem CID 9273624) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide
PubChem CID9273624
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Name3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c(C)noc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C18H23N3O6/c1-9(2)15-14(10(3)21-27-15)18(23)20-19-17(22)11-7-12(24-4)16(26-6)13(8-11)25-5/h7-9H,1-6H3,(H,19,22)(H,20,23)
InChIKeyFNGDTHWNUDJDEI-UHFFFAOYSA-N
XLogP2.21
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 9271390
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 25162867
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095
3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 35180458
(1S,6S)-6-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1227845
N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110607236
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide (CID 9273624) is 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2c(C)noc2C(C)C)cc(OC)c1OC.
What is the InChIKey of 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide?
The InChIKey is FNGDTHWNUDJDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-9(2)15-14(10(3)21-27-15)18(23)20-19-17(22)11-7-12(24-4)16(26-6)13(8-11)25-5/h7-9H,1-6H3,(H,19,22)(H,20,23).
What are the key properties of 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide?
3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide has a molecular weight of 377.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9273624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).