(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide

C12H19N3O3 — CID 125441092

IUPAC(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide
SMILESCCCc1cc(CNC(=O)[C@@H]2CNCCO2)on1
InChIInChI=1S/C12H19N3O3/c1-2-3-9-6-10(18-15-9)7-14-12(16)11-8-13-4-5-17-11/h6,11,13H,2-5,7-8H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyFKEHTNLCWPONFN-NSHDSACASA-N
MW253.30 g/mol
LogP0.23
Rot. Bonds5

About (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide

(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide (PubChem CID 125441092) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide
PubChem CID125441092
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide
SMILESCCCc1cc(CNC(=O)[C@@H]2CNCCO2)on1
InChIInChI=1S/C12H19N3O3/c1-2-3-9-6-10(18-15-9)7-14-12(16)11-8-13-4-5-17-11/h6,11,13H,2-5,7-8H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyFKEHTNLCWPONFN-NSHDSACASA-N
XLogP0.23
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 103811683
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753263
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
N-octylmorpholine-2-carboxamide
CID 115567943
3-(1-methylpyrazol-4-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963276
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
CID 92632288

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide (CID 125441092) is (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide is CCCc1cc(CNC(=O)[C@@H]2CNCCO2)on1.
What is the InChIKey of (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide?
The InChIKey is FKEHTNLCWPONFN-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-9-6-10(18-15-9)7-14-12(16)11-8-13-4-5-17-11/h6,11,13H,2-5,7-8H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide?
(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 125441092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).