2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone

C13H14N2O2 — CID 82495046

IUPAC2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
SMILESCc1nc2ccc(C(=O)CNC3CC3)cc2o1
InChIInChI=1S/C13H14N2O2/c1-8-15-11-5-2-9(6-13(11)17-8)12(16)7-14-10-3-4-10/h2,5-6,10,14H,3-4,7H2,1H3
InChIKeyHBOPOBOLPBJAOZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.07
Rot. Bonds4

About 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone

2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone (PubChem CID 82495046) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
PubChem CID82495046
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
SMILESCc1nc2ccc(C(=O)CNC3CC3)cc2o1
InChIInChI=1S/C13H14N2O2/c1-8-15-11-5-2-9(6-13(11)17-8)12(16)7-14-10-3-4-10/h2,5-6,10,14H,3-4,7H2,1H3
InChIKeyHBOPOBOLPBJAOZ-UHFFFAOYSA-N
XLogP2.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
4-(2-methyl-1,3-benzoxazol-6-yl)-4-oxobutanoic acid
CID 82495960
N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 115272850
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]cyclopropanamine
CID 96672948
1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone
CID 116832958
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
1-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)ethanone
CID 82114127
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176
[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 116921658
N,2-dimethyl-1,3-benzoxazole-6-carbothioamide
CID 116827719

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone (CID 82495046) is 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone is Cc1nc2ccc(C(=O)CNC3CC3)cc2o1.
What is the InChIKey of 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone?
The InChIKey is HBOPOBOLPBJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-15-11-5-2-9(6-13(11)17-8)12(16)7-14-10-3-4-10/h2,5-6,10,14H,3-4,7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone?
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone is sourced from PubChem (CID 82495046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).