3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide

C18H23N3O4 — CID 91797644

IUPAC3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C18H23N3O4/c1-3-14-17(12(2)25-21-14)18(22)20-15-7-9-23-11-16(15)24-10-13-6-4-5-8-19-13/h4-6,8,15-16H,3,7,9-11H2,1-2H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyCCJDQRGCKZXKTM-HZPDHXFCSA-N
MW345.40 g/mol
LogP2.04
Rot. Bonds6

About 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide (PubChem CID 91797644) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
PubChem CID91797644
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C18H23N3O4/c1-3-14-17(12(2)25-21-14)18(22)20-15-7-9-23-11-16(15)24-10-13-6-4-5-8-19-13/h4-6,8,15-16H,3,7,9-11H2,1-2H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyCCJDQRGCKZXKTM-HZPDHXFCSA-N
XLogP2.04
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786206
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91781523
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91777996
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
CID 91764518
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2H-benzotriazole-5-carboxamide
CID 91772579
3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91766286
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide (CID 91797644) is 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1.
What is the InChIKey of 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is CCJDQRGCKZXKTM-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-14-17(12(2)25-21-14)18(22)20-15-7-9-23-11-16(15)24-10-13-6-4-5-8-19-13/h4-6,8,15-16H,3,7,9-11H2,1-2H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91797644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).