6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one

C13H16N2O2 — CID 82262597

IUPAC6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one
SMILESCC(Cc1ccc2[nH]c(=O)oc2c1)NC1CC1
InChIInChI=1S/C13H16N2O2/c1-8(14-10-3-4-10)6-9-2-5-11-12(7-9)17-13(16)15-11/h2,5,7-8,10,14H,3-4,6H2,1H3,(H,15,16)
InChIKeyQAMOTMFWKCCOKR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.80
Rot. Bonds4

About 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one

6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one (PubChem CID 82262597) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one
PubChem CID82262597
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one
SMILESCC(Cc1ccc2[nH]c(=O)oc2c1)NC1CC1
InChIInChI=1S/C13H16N2O2/c1-8(14-10-3-4-10)6-9-2-5-11-12(7-9)17-13(16)15-11/h2,5,7-8,10,14H,3-4,6H2,1H3,(H,15,16)
InChIKeyQAMOTMFWKCCOKR-UHFFFAOYSA-N
XLogP1.80
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 82491853
6-(4-amino-2-methylbutyl)-3H-1,3-benzoxazol-2-one
CID 116924891
6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 82262244
6-(3-aminobutyl)-3H-1,3-benzoxazol-2-one
CID 82492156
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide
CID 116849572
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanenitrile
CID 115130200
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
methyl 3-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate
CID 82351441
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]cyclopropanamine
CID 82262583
6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 122164517
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one (CID 82262597) is 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one is CC(Cc1ccc2[nH]c(=O)oc2c1)NC1CC1.
What is the InChIKey of 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is QAMOTMFWKCCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(14-10-3-4-10)6-9-2-5-11-12(7-9)17-13(16)15-11/h2,5,7-8,10,14H,3-4,6H2,1H3,(H,15,16).
What are the key properties of 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one?
6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82262597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).