N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide

C12H11N3O3S — CID 134050746

IUPACN'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N3O3S/c16-11(7-3-4-7)13-14-12(17)8-6-9(18-15-8)10-2-1-5-19-10/h1-2,5-7H,3-4H2,(H,13,16)(H,14,17)
InChIKeyBYUNFLSYAXVMKQ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.57
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide

N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide (PubChem CID 134050746) has the molecular formula C12H11N3O3S and a molecular weight of 277.30 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
PubChem CID134050746
Molecular FormulaC12H11N3O3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC NameN'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N3O3S/c16-11(7-3-4-7)13-14-12(17)8-6-9(18-15-8)10-2-1-5-19-10/h1-2,5-7H,3-4H2,(H,13,16)(H,14,17)
InChIKeyBYUNFLSYAXVMKQ-UHFFFAOYSA-N
XLogP1.57
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.57
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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Related Compounds

N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55711740
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
cyclohexyl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 128950819
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 32868562
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 124760825
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide (CID 134050746) is N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide is O=C(NNC(=O)C1CC1)c1cc(-c2cccs2)on1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The InChIKey is BYUNFLSYAXVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-11(7-3-4-7)13-14-12(17)8-6-9(18-15-8)10-2-1-5-19-10/h1-2,5-7H,3-4H2,(H,13,16)(H,14,17).
What are the key properties of N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide has a molecular weight of 277.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 134050746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).