N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

C12H18N4O4 — CID 112507096

IUPACN-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)N2CCOCC2)no1
InChIInChI=1S/C12H18N4O4/c1-8-7-10(15-20-8)14-11(17)9(2)13-12(18)16-3-5-19-6-4-16/h7,9H,3-6H2,1-2H3,(H,13,18)(H,14,15,17)/t9-/m0/s1
InChIKeyCSIRWPJULUAIQQ-VIFPVBQESA-N
MW282.30 g/mol
LogP0.35
Rot. Bonds3

About N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 112507096) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID112507096
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC NameN-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)N2CCOCC2)no1
InChIInChI=1S/C12H18N4O4/c1-8-7-10(15-20-8)14-11(17)9(2)13-12(18)16-3-5-19-6-4-16/h7,9H,3-6H2,1-2H3,(H,13,18)(H,14,15,17)/t9-/m0/s1
InChIKeyCSIRWPJULUAIQQ-VIFPVBQESA-N
XLogP0.35
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902538
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34499731
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 110624102
N-(5-methyl-1,2-oxazol-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103878
2-(2-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-ylacetamide
CID 167824561
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 112507096) is N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is Cc1cc(NC(=O)[C@H](C)NC(=O)N2CCOCC2)no1.
What is the InChIKey of N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is CSIRWPJULUAIQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8-7-10(15-20-8)14-11(17)9(2)13-12(18)16-3-5-19-6-4-16/h7,9H,3-6H2,1-2H3,(H,13,18)(H,14,15,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 112507096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).