(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide

C13H18ClN3O4 — CID 125001654

IUPAC(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)CCc2cc(Cl)no2)CCO1
InChIInChI=1S/C13H18ClN3O4/c1-13(12(19)15-2)8-17(5-6-20-13)11(18)4-3-9-7-10(14)16-21-9/h7H,3-6,8H2,1-2H3,(H,15,19)/t13-/m0/s1
InChIKeySEVXFQUBYTYBIS-ZDUSSCGKSA-N
MW315.76 g/mol
LogP0.62
Rot. Bonds4

About (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide

(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 125001654) has the molecular formula C13H18ClN3O4 and a molecular weight of 315.76 g/mol. Its IUPAC name is (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
PubChem CID125001654
Molecular FormulaC13H18ClN3O4
Molecular Weight315.76 g/mol
Exact Mass315.10
IUPAC Name(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)CCc2cc(Cl)no2)CCO1
InChIInChI=1S/C13H18ClN3O4/c1-13(12(19)15-2)8-17(5-6-20-13)11(18)4-3-9-7-10(14)16-21-9/h7H,3-6,8H2,1-2H3,(H,15,19)/t13-/m0/s1
InChIKeySEVXFQUBYTYBIS-ZDUSSCGKSA-N
XLogP0.62
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid
CID 110106954
(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839493
(2R)-N,2-dimethyl-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]morpholine-2-carboxamide
CID 124971497
4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 110094868
(6R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 125015697
(5S)-7-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95724274
3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one
CID 164698982
(2S)-N,2-dimethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]morpholine-2-carboxamide
CID 124999466
3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502362
(6S)-1-acetyl-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124999845
(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124955601
3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one
CID 135115850

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide (CID 125001654) is (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(C(=O)CCc2cc(Cl)no2)CCO1.
What is the InChIKey of (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is SEVXFQUBYTYBIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18ClN3O4/c1-13(12(19)15-2)8-17(5-6-20-13)11(18)4-3-9-7-10(14)16-21-9/h7H,3-6,8H2,1-2H3,(H,15,19)/t13-/m0/s1.
What are the key properties of (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide?
(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 125001654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).