methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate

C15H18N2O4 — CID 94463007

IUPACmethyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c1-20-14(18)8-5-9-16-15(19)12-10-13(21-17-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyQWXIHTJIYKHABN-CYBMUJFWSA-N
MW290.32 g/mol
LogP1.57
Rot. Bonds6

About methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate

methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate (PubChem CID 94463007) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
PubChem CID94463007
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c1-20-14(18)8-5-9-16-15(19)12-10-13(21-17-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyQWXIHTJIYKHABN-CYBMUJFWSA-N
XLogP1.57
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate with MolForge

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Related Compounds

(5R)-N-[2-(methanesulfonamido)ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94569889
(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94605167
methyl 5-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]pentanoate
CID 60590935
methyl 4-benzamidobutanoate
CID 13197711
methyl 5-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pentanoate
CID 86035175
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75387651
N-(2-bromo-4,5-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 71886872
(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 124508168
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 71884657
(5R)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538959

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate?
The IUPAC name of methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate (CID 94463007) is methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate?
The canonical SMILES for methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate is COC(=O)CCCNC(=O)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate?
The InChIKey is QWXIHTJIYKHABN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-14(18)8-5-9-16-15(19)12-10-13(21-17-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate?
methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate has a molecular weight of 290.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate is sourced from PubChem (CID 94463007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).