2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide

C12H16N2O3 — CID 91763879

IUPAC2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)o1
InChIInChI=1S/C12H16N2O3/c1-6-11(17-7(2)13-6)12(15)14-9-5-10-8(9)3-4-16-10/h8-10H,3-5H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
InChIKeyUUMPDDIWJDVJKJ-UTLUCORTSA-N
MW236.27 g/mol
LogP1.20
Rot. Bonds2

About 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide (PubChem CID 91763879) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
PubChem CID91763879
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)o1
InChIInChI=1S/C12H16N2O3/c1-6-11(17-7(2)13-6)12(15)14-9-5-10-8(9)3-4-16-10/h8-10H,3-5H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
InChIKeyUUMPDDIWJDVJKJ-UTLUCORTSA-N
XLogP1.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2,4-dimethyl-N-(3-methylcyclopentyl)-1,3-oxazole-5-carboxamide
CID 114550016
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 133266448
4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide
CID 133265806
N-[2-(chloromethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 106366658
N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114309103
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpyridine-3-carboxamide
CID 133265545
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
CID 91769351
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide (CID 91763879) is 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)o1.
What is the InChIKey of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is UUMPDDIWJDVJKJ-UTLUCORTSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-6-11(17-7(2)13-6)12(15)14-9-5-10-8(9)3-4-16-10/h8-10H,3-5H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91763879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).