4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid

C11H15N3O5 — CID 106374354

IUPAC4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CCOC(C(=O)O)C2)o1
InChIInChI=1S/C11H15N3O5/c1-7-4-12-9(19-7)5-13-11(17)14-2-3-18-8(6-14)10(15)16/h4,8H,2-3,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyXAHLFHDBTMOENM-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.02
Rot. Bonds3

About 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid

4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 106374354) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID106374354
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CCOC(C(=O)O)C2)o1
InChIInChI=1S/C11H15N3O5/c1-7-4-12-9(19-7)5-13-11(17)14-2-3-18-8(6-14)10(15)16/h4,8H,2-3,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyXAHLFHDBTMOENM-UHFFFAOYSA-N
XLogP-0.02
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
CID 146133770
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63824344
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
CID 62636376
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid (CID 106374354) is 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid is Cc1cnc(CNC(=O)N2CCOC(C(=O)O)C2)o1.
What is the InChIKey of 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is XAHLFHDBTMOENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7-4-12-9(19-7)5-13-11(17)14-2-3-18-8(6-14)10(15)16/h4,8H,2-3,5-6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid?
4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 106374354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).