[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate

C16H18N2O5 — CID 30489995

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H18N2O5/c1-10-4-6-13(7-5-10)21-9-15(19)22-12(3)16(20)17-14-8-11(2)23-18-14/h4-8,12H,9H2,1-3H3,(H,17,18,20)/t12-/m0/s1
InChIKeyZQUIDADWDAPNTE-LBPRGKRZSA-N
MW318.33 g/mol
LogP2.24
Rot. Bonds6

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate (PubChem CID 30489995) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
PubChem CID30489995
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H18N2O5/c1-10-4-6-13(7-5-10)21-9-15(19)22-12(3)16(20)17-14-8-11(2)23-18-14/h4-8,12H,9H2,1-3H3,(H,17,18,20)/t12-/m0/s1
InChIKeyZQUIDADWDAPNTE-LBPRGKRZSA-N
XLogP2.24
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489992
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8679224
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737806
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenoxy)propanamide
CID 18097177
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 46672181
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 31556979
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 31556976
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 2594631
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 30925313

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate (CID 30489995) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate is Cc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate?
The InChIKey is ZQUIDADWDAPNTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10-4-6-13(7-5-10)21-9-15(19)22-12(3)16(20)17-14-8-11(2)23-18-14/h4-8,12H,9H2,1-3H3,(H,17,18,20)/t12-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate has a molecular weight of 318.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 30489995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).