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

C14H21N3O5 — CID 91772759

IUPACN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O
InChIInChI=1S/C14H21N3O5/c1-3-9-13(8(2)22-17-9)14(19)16-10-6-20-5-4-11(10)21-7-12(15)18/h10-11H,3-7H2,1-2H3,(H2,15,18)(H,16,19)/t10-,11+/m1/s1
InChIKeyJRSBWWCFDPRFQQ-MNOVXSKESA-N
MW311.34 g/mol
LogP-0.07
Rot. Bonds6

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

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 91772759) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID91772759
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O
InChIInChI=1S/C14H21N3O5/c1-3-9-13(8(2)22-17-9)14(19)16-10-6-20-5-4-11(10)21-7-12(15)18/h10-11H,3-7H2,1-2H3,(H2,15,18)(H,16,19)/t10-,11+/m1/s1
InChIKeyJRSBWWCFDPRFQQ-MNOVXSKESA-N
XLogP-0.07
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 91772759) is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O.
What is the InChIKey of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JRSBWWCFDPRFQQ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21N3O5/c1-3-9-13(8(2)22-17-9)14(19)16-10-6-20-5-4-11(10)21-7-12(15)18/h10-11H,3-7H2,1-2H3,(H2,15,18)(H,16,19)/t10-,11+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91772759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).