N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide

C15H16N2O4 — CID 99637145

IUPACN-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCC[C@@]1(C)Oc2ccc(NC(=O)c3ncoc3C)cc2O1
InChIInChI=1S/C15H16N2O4/c1-4-15(3)20-11-6-5-10(7-12(11)21-15)17-14(18)13-9(2)19-8-16-13/h5-8H,4H2,1-3H3,(H,17,18)/t15-/m0/s1
InChIKeyPAMOONKDFDUCSH-HNNXBMFYSA-N
MW288.30 g/mol
LogP3.13
Rot. Bonds3

About N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 99637145) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID99637145
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCC[C@@]1(C)Oc2ccc(NC(=O)c3ncoc3C)cc2O1
InChIInChI=1S/C15H16N2O4/c1-4-15(3)20-11-6-5-10(7-12(11)21-15)17-14(18)13-9(2)19-8-16-13/h5-8H,4H2,1-3H3,(H,17,18)/t15-/m0/s1
InChIKeyPAMOONKDFDUCSH-HNNXBMFYSA-N
XLogP3.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide
CID 16766246
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 99637167
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylbenzamide
CID 2975835
N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
CID 99798109
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 99637181
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 99637161
5-cyano-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-1H-pyrrole-3-carboxamide
CID 99637176
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide
CID 99637184
(3S,4S)-1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122091010
N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 136532249
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633
N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75390628

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 99637145) is N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide is CC[C@@]1(C)Oc2ccc(NC(=O)c3ncoc3C)cc2O1.
What is the InChIKey of N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is PAMOONKDFDUCSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-4-15(3)20-11-6-5-10(7-12(11)21-15)17-14(18)13-9(2)19-8-16-13/h5-8H,4H2,1-3H3,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).