N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide

C14H16N2O2 — CID 110278979

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1C)c1nc2ccccc2o1
InChIInChI=1S/C14H16N2O2/c1-8-7-10(8)13(17)15-9(2)14-16-11-5-3-4-6-12(11)18-14/h3-6,8-10H,7H2,1-2H3,(H,15,17)
InChIKeyJXAVNMYGMUHRPO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.66
Rot. Bonds3

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 110278979) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID110278979
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1C)c1nc2ccccc2o1
InChIInChI=1S/C14H16N2O2/c1-8-7-10(8)13(17)15-9(2)14-16-11-5-3-4-6-12(11)18-14/h3-6,8-10H,7H2,1-2H3,(H,15,17)
InChIKeyJXAVNMYGMUHRPO-UHFFFAOYSA-N
XLogP2.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943
N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 110278870
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 129429911
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278820
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
CID 110278878
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide
CID 110278925
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110278714
N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110278882
(E)-3-(1,3-benzodioxol-5-yl)-N-[1-(1,3-benzoxazol-2-yl)ethyl]prop-2-enamide
CID 110278956
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 110278979) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide is CC(NC(=O)C1CC1C)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is JXAVNMYGMUHRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-7-10(8)13(17)15-9(2)14-16-11-5-3-4-6-12(11)18-14/h3-6,8-10H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 110278979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).