1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide

C12H9N3O3 — CID 115181430

IUPAC1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C12H9N3O3/c13-6-12(3-4-12)10(16)14-7-1-2-8-9(5-7)18-11(17)15-8/h1-2,5H,3-4H2,(H,14,16)(H,15,17)
InChIKeyUZMJDNWBODFEOJ-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds2

About 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide

1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide (PubChem CID 115181430) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide
PubChem CID115181430
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C12H9N3O3/c13-6-12(3-4-12)10(16)14-7-1-2-8-9(5-7)18-11(17)15-8/h1-2,5H,3-4H2,(H,14,16)(H,15,17)
InChIKeyUZMJDNWBODFEOJ-UHFFFAOYSA-N
XLogP1.36
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
1-cyano-N-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 80599421
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 167962154

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide (CID 115181430) is 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2ccc3[nH]c(=O)oc3c2)CC1.
What is the InChIKey of 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is UZMJDNWBODFEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c13-6-12(3-4-12)10(16)14-7-1-2-8-9(5-7)18-11(17)15-8/h1-2,5H,3-4H2,(H,14,16)(H,15,17).
What are the key properties of 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide?
1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 243.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115181430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).