6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one

C14H19N3O2 — CID 115244654

IUPAC6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one
SMILESCNCC1(CN(C)c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C14H19N3O2/c1-15-8-14(5-6-14)9-17(2)10-3-4-11-12(7-10)19-13(18)16-11/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyOQTMIIPAFAVONF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.56
Rot. Bonds5

About 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one

6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115244654) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID115244654
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one
SMILESCNCC1(CN(C)c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C14H19N3O2/c1-15-8-14(5-6-14)9-17(2)10-3-4-11-12(7-10)19-13(18)16-11/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyOQTMIIPAFAVONF-UHFFFAOYSA-N
XLogP1.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115122051
6-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115135265
6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115210689
6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 117043939
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 115244605
6-[methyl(3-phenylpropyl)amino]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 14500459
2-amino-3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115240611
methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169877
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
6-[methyl-[2-[(4-phenylcyclohexyl)amino]ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 10155738

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one (CID 115244654) is 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one is CNCC1(CN(C)c2ccc3[nH]c(=O)oc3c2)CC1.
What is the InChIKey of 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is OQTMIIPAFAVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-8-14(5-6-14)9-17(2)10-3-4-11-12(7-10)19-13(18)16-11/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one?
6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115244654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).