N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

C14H14N2O3 — CID 166252419

IUPACN-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)c1ccon1
InChIInChI=1S/C14H14N2O3/c1-16(12-7-9-19-15-12)14(17)13-11-5-3-2-4-10(11)6-8-18-13/h2-5,7,9,13H,6,8H2,1H3
InChIKeyLEDKPALTSHEQIV-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 166252419) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID166252419
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)c1ccon1
InChIInChI=1S/C14H14N2O3/c1-16(12-7-9-19-15-12)14(17)13-11-5-3-2-4-10(11)6-8-18-13/h2-5,7,9,13H,6,8H2,1H3
InChIKeyLEDKPALTSHEQIV-UHFFFAOYSA-N
XLogP1.95
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methoxypyrimidin-2-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 132970815
N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 116651619
N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126788961
N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126857871
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
(1S)-N-(1,2-oxazol-3-ylmethylsulfonyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 99714923
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]-methylamino]methyl]benzoic acid
CID 124684427
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126918086
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119995087
2-[butan-2-yl(3,4-dihydro-1H-isochromene-1-carbonyl)amino]acetic acid
CID 60984955
1-(3,4-dihydro-1H-isochromen-1-yl)prop-2-yn-1-one
CID 105108198
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 166252419) is N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is CN(C(=O)C1OCCc2ccccc21)c1ccon1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is LEDKPALTSHEQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16(12-7-9-19-15-12)14(17)13-11-5-3-2-4-10(11)6-8-18-13/h2-5,7,9,13H,6,8H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 166252419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).