methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate

C18H16N2O4 — CID 97350475

IUPACmethyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
SMILESCOC(=O)[C@H](NC(=O)c1ncoc1C)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O4/c1-11-15(19-10-24-11)17(21)20-16(18(22)23-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,16H,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyPUVVBSUIPUHJTR-MRXNPFEDSA-N
MW324.34 g/mol
LogP2.78
Rot. Bonds4

About methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate

methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate (PubChem CID 97350475) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
PubChem CID97350475
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
SMILESCOC(=O)[C@H](NC(=O)c1ncoc1C)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O4/c1-11-15(19-10-24-11)17(21)20-16(18(22)23-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,16H,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyPUVVBSUIPUHJTR-MRXNPFEDSA-N
XLogP2.78
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628234
4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
CID 95786807
methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate
CID 86802068
2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 129468921
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
methyl 2-[(R)-(methoxycarbonylamino)-naphthalen-2-ylmethyl]-3-oxobutanoate
CID 23872060
5-methyl-N'-phenyl-1,3-oxazole-4-carbohydrazide
CID 137320310

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate?
The IUPAC name of methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate (CID 97350475) is methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate is COC(=O)[C@H](NC(=O)c1ncoc1C)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate?
The InChIKey is PUVVBSUIPUHJTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-15(19-10-24-11)17(21)20-16(18(22)23-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,16H,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate?
methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate has a molecular weight of 324.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate is sourced from PubChem (CID 97350475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).