[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate

C16H14N2O5 — CID 18158022

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2=Cc3ccccc3OC2)on1
InChIInChI=1S/C16H14N2O5/c1-10-6-15(23-18-10)17-14(19)9-22-16(20)12-7-11-4-2-3-5-13(11)21-8-12/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyDPPWYPUSEUKTLF-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.94
Rot. Bonds4

About [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 18158022) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID18158022
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)C2=Cc3ccccc3OC2)on1
InChIInChI=1S/C16H14N2O5/c1-10-6-15(23-18-10)17-14(19)9-22-16(20)12-7-11-4-2-3-5-13(11)21-8-12/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyDPPWYPUSEUKTLF-UHFFFAOYSA-N
XLogP1.94
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
[2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
CID 8742976
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741795
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 18128877
[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2H-chromene-3-carboxylate
CID 8748961
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate (CID 18158022) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate is Cc1cc(NC(=O)COC(=O)C2=Cc3ccccc3OC2)on1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is DPPWYPUSEUKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-10-6-15(23-18-10)17-14(19)9-22-16(20)12-7-11-4-2-3-5-13(11)21-8-12/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 18158022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).