N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide

C17H14ClN3O3 — CID 9428049

IUPACN'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
SMILESO=C(CCc1nc2ccccc2o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3/c18-12-5-3-4-11(10-12)17(23)21-20-15(22)8-9-16-19-13-6-1-2-7-14(13)24-16/h1-7,10H,8-9H2,(H,20,22)(H,21,23)
InChIKeyRNYRQIDYDGGSMN-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.88
Rot. Bonds4

About N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide

N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide (PubChem CID 9428049) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
PubChem CID9428049
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
SMILESO=C(CCc1nc2ccccc2o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3/c18-12-5-3-4-11(10-12)17(23)21-20-15(22)8-9-16-19-13-6-1-2-7-14(13)24-16/h1-7,10H,8-9H2,(H,20,22)(H,21,23)
InChIKeyRNYRQIDYDGGSMN-UHFFFAOYSA-N
XLogP2.88
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.88
H-Bond Donors ≤ 52
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-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 46689686
3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 9427574
3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135915051
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 9086680
3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428837
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 30043506
3-(6-chloro-1,3-benzoxazol-2-yl)propanoic acid
CID 81433022
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
CID 9404315

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide (CID 9428049) is N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide is O=C(CCc1nc2ccccc2o1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide?
The InChIKey is RNYRQIDYDGGSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-12-5-3-4-11(10-12)17(23)21-20-15(22)8-9-16-19-13-6-1-2-7-14(13)24-16/h1-7,10H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide?
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide has a molecular weight of 343.77 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide is sourced from PubChem (CID 9428049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).