(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide

C13H20N4O4 — CID 120920338

IUPAC(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)[C@H]2NCCO[C@@H]2C)no1
InChIInChI=1S/C13H20N4O4/c1-8-6-10(16-21-8)15-11(18)7-17(3)13(19)12-9(2)20-5-4-14-12/h6,9,12,14H,4-5,7H2,1-3H3,(H,15,16,18)/t9-,12+/m1/s1
InChIKeyDQDUPNJNBCAABS-SKDRFNHKSA-N
MW296.33 g/mol
LogP-0.24
Rot. Bonds4

About (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 120920338) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide
PubChem CID120920338
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)[C@H]2NCCO[C@@H]2C)no1
InChIInChI=1S/C13H20N4O4/c1-8-6-10(16-21-8)15-11(18)7-17(3)13(19)12-9(2)20-5-4-14-12/h6,9,12,14H,4-5,7H2,1-3H3,(H,15,16,18)/t9-,12+/m1/s1
InChIKeyDQDUPNJNBCAABS-SKDRFNHKSA-N
XLogP-0.24
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide with MolForge

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Related Compounds

(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793
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CID 119275400
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide
CID 64561893
(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918700
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]adamantane-2-carboxamide
CID 51267576
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697235
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607199
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 51111078
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide (CID 120920338) is (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)[C@H]2NCCO[C@@H]2C)no1.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is DQDUPNJNBCAABS-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8-6-10(16-21-8)15-11(18)7-17(3)13(19)12-9(2)20-5-4-14-12/h6,9,12,14H,4-5,7H2,1-3H3,(H,15,16,18)/t9-,12+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120920338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).