N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide

C15H12ClN3O5 — CID 9367127

IUPACN'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide
SMILESO=C(CCn1c(=O)oc2cc(Cl)ccc21)NNC(=O)c1ccco1
InChIInChI=1S/C15H12ClN3O5/c16-9-3-4-10-12(8-9)24-15(22)19(10)6-5-13(20)17-18-14(21)11-2-1-7-23-11/h1-4,7-8H,5-6H2,(H,17,20)(H,18,21)
InChIKeyOWEFJYVMBGUKDE-UHFFFAOYSA-N
MW349.73 g/mol
LogP1.69
Rot. Bonds4

About N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide

N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide (PubChem CID 9367127) has the molecular formula C15H12ClN3O5 and a molecular weight of 349.73 g/mol. Its IUPAC name is N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide
PubChem CID9367127
Molecular FormulaC15H12ClN3O5
Molecular Weight349.73 g/mol
Exact Mass349.05
IUPAC NameN'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide
SMILESO=C(CCn1c(=O)oc2cc(Cl)ccc21)NNC(=O)c1ccco1
InChIInChI=1S/C15H12ClN3O5/c16-9-3-4-10-12(8-9)24-15(22)19(10)6-5-13(20)17-18-14(21)11-2-1-7-23-11/h1-4,7-8H,5-6H2,(H,17,20)(H,18,21)
InChIKeyOWEFJYVMBGUKDE-UHFFFAOYSA-N
XLogP1.69
TPSA106.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 51.69
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

1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-(3-methylbutyl)thiourea
CID 9150561
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 9033009
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 9181609
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 17479328
methyl 4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9138841
(2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-ethylpropanamide
CID 9470712
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 9143727
[4-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium
CID 8948610
[(2R)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-2-phenylethyl]-dimethylazanium
CID 8938389
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059

Frequently Asked Questions

What is the IUPAC name of N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide (CID 9367127) is N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide is O=C(CCn1c(=O)oc2cc(Cl)ccc21)NNC(=O)c1ccco1.
What is the InChIKey of N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide?
The InChIKey is OWEFJYVMBGUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O5/c16-9-3-4-10-12(8-9)24-15(22)19(10)6-5-13(20)17-18-14(21)11-2-1-7-23-11/h1-4,7-8H,5-6H2,(H,17,20)(H,18,21).
What are the key properties of N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide?
N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide has a molecular weight of 349.73 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]furan-2-carbohydrazide is sourced from PubChem (CID 9367127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).