(3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate

C15H17N3O4 — CID 42933062

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate
SMILESCc1cc(COC(=O)CC(NC(N)=O)c2ccccc2)on1
InChIInChI=1S/C15H17N3O4/c1-10-7-12(22-18-10)9-21-14(19)8-13(17-15(16)20)11-5-3-2-4-6-11/h2-7,13H,8-9H2,1H3,(H3,16,17,20)
InChIKeyRXLLBFZNFOVVEK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.83
Rot. Bonds6

About (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate

(3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate (PubChem CID 42933062) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate
PubChem CID42933062
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate
SMILESCc1cc(COC(=O)CC(NC(N)=O)c2ccccc2)on1
InChIInChI=1S/C15H17N3O4/c1-10-7-12(22-18-10)9-21-14(19)8-13(17-15(16)20)11-5-3-2-4-6-11/h2-7,13H,8-9H2,1H3,(H3,16,17,20)
InChIKeyRXLLBFZNFOVVEK-UHFFFAOYSA-N
XLogP1.83
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8807605
(3-phenyl-1,2-oxazol-5-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55479074
(2-methylphenyl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608661
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 24648260
benzyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608690
(3-methyl-1,2-oxazol-5-yl)methyl 6-(carbamoylamino)hexanoate
CID 40721472
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7870128
[(1S)-1-phenylethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8606825
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 29347337
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849047
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849048
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-phenylpropanoate
CID 42294435

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate (CID 42933062) is (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate is Cc1cc(COC(=O)CC(NC(N)=O)c2ccccc2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate?
The InChIKey is RXLLBFZNFOVVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-7-12(22-18-10)9-21-14(19)8-13(17-15(16)20)11-5-3-2-4-6-11/h2-7,13H,8-9H2,1H3,(H3,16,17,20).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate has a molecular weight of 303.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate is sourced from PubChem (CID 42933062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).