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

C13H18N2O3 — CID 164627562

IUPAC2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)o1
InChIInChI=1S/C13H18N2O3/c1-3-11-14-7(2)12(18-11)13(16)15-9-6-10-8(9)4-5-17-10/h8-10H,3-6H2,1-2H3,(H,15,16)/t8-,9-,10+/m0/s1
InChIKeyUUCULGSUUCTHCY-LPEHRKFASA-N
MW250.30 g/mol
LogP1.45
Rot. Bonds3

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

2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide (PubChem CID 164627562) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
PubChem CID164627562
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)o1
InChIInChI=1S/C13H18N2O3/c1-3-11-14-7(2)12(18-11)13(16)15-9-6-10-8(9)4-5-17-10/h8-10H,3-6H2,1-2H3,(H,15,16)/t8-,9-,10+/m0/s1
InChIKeyUUCULGSUUCTHCY-LPEHRKFASA-N
XLogP1.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[rac-(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 91760024
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
N-cyclopentyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026185
2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 95132413
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
2,4-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 119039124
2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 124850902
(3-Endo)-8-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-3-methoxy-8-azabicyclo[3.2.1]octane
CID 129623301
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,4-dimethyl-N-propyl-1,3-oxazole-5-carboxamide
CID 132360586
2,4-dimethyl-N-[(1S*,5R*,6S*)-2-oxabicyclo[3.2.0]hept-6-yl]-1,3-oxazole-5-carboxamide
CID 133266549
2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 164633710
(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 164636060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide (CID 164627562) is 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is UUCULGSUUCTHCY-LPEHRKFASA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-11-14-7(2)12(18-11)13(16)15-9-6-10-8(9)4-5-17-10/h8-10H,3-6H2,1-2H3,(H,15,16)/t8-,9-,10+/m0/s1.
What are the key properties of 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 164627562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).