7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one

C10H12N2O2 — CID 83878035

IUPAC7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one
SMILESNCCCc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C10H12N2O2/c11-6-2-4-7-3-1-5-8-9(7)14-10(13)12-8/h1,3,5H,2,4,6,11H2,(H,12,13)
InChIKeyAECCOJNDUKXVRM-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.01
Rot. Bonds3

About 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one

7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one (PubChem CID 83878035) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one
PubChem CID83878035
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one
SMILESNCCCc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C10H12N2O2/c11-6-2-4-7-3-1-5-8-9(7)14-10(13)12-8/h1,3,5H,2,4,6,11H2,(H,12,13)
InChIKeyAECCOJNDUKXVRM-UHFFFAOYSA-N
XLogP1.01
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-iodo-3H-1,3-benzoxazol-2-one
CID 130784539
7-(2-aminoethyl)-5-bromo-3H-1,3-benzoxazol-2-one
CID 83901397
7-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 165124091
7-propan-2-yl-3H-1,3-benzoxazol-2-one
CID 13206862
1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
CID 110350578
7-[[[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]amino]methyl]-3H-1,3-benzoxazol-2-one
CID 167862393
6-(5-aminopentyl)-3H-1,3-benzoxazol-2-one
CID 96672161
N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide
CID 166339129
7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 138052378
6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
CID 167969035
4-(3-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 19086896
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one (CID 83878035) is 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one is NCCCc1cccc2[nH]c(=O)oc12.
What is the InChIKey of 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is AECCOJNDUKXVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-6-2-4-7-3-1-5-8-9(7)14-10(13)12-8/h1,3,5H,2,4,6,11H2,(H,12,13).
What are the key properties of 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one?
7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 83878035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).