methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate

C15H18N2O5 — CID 50796907

IUPACmethyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
SMILESCCn1c(=O)oc2cc(NC(=O)CCCC(=O)OC)ccc21
InChIInChI=1S/C15H18N2O5/c1-3-17-11-8-7-10(9-12(11)22-15(17)20)16-13(18)5-4-6-14(19)21-2/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyPNSXMMKLSQZKTM-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.90
Rot. Bonds6

About methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate

methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate (PubChem CID 50796907) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
PubChem CID50796907
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
SMILESCCn1c(=O)oc2cc(NC(=O)CCCC(=O)OC)ccc21
InChIInChI=1S/C15H18N2O5/c1-3-17-11-8-7-10(9-12(11)22-15(17)20)16-13(18)5-4-6-14(19)21-2/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyPNSXMMKLSQZKTM-UHFFFAOYSA-N
XLogP1.90
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate with MolForge

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Related Compounds

1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
CID 110412208
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
CID 50796693
methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
CID 22577323
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 110616444
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate (CID 50796907) is methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate is CCn1c(=O)oc2cc(NC(=O)CCCC(=O)OC)ccc21.
What is the InChIKey of methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate?
The InChIKey is PNSXMMKLSQZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-3-17-11-8-7-10(9-12(11)22-15(17)20)16-13(18)5-4-6-14(19)21-2/h7-9H,3-6H2,1-2H3,(H,16,18).
What are the key properties of methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate?
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate has a molecular weight of 306.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 50796907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).