N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide

C21H19N3O4 — CID 51111078

IUPACN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C2c3ccccc3Oc3ccccc32)no1
InChIInChI=1S/C21H19N3O4/c1-13-11-18(23-28-13)22-19(25)12-24(2)21(26)20-14-7-3-5-9-16(14)27-17-10-6-4-8-15(17)20/h3-11,20H,12H2,1-2H3,(H,22,23,25)
InChIKeyPKJDIINIUXVUND-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.32
Rot. Bonds4

About N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide (PubChem CID 51111078) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
PubChem CID51111078
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C2c3ccccc3Oc3ccccc32)no1
InChIInChI=1S/C21H19N3O4/c1-13-11-18(23-28-13)22-19(25)12-24(2)21(26)20-14-7-3-5-9-16(14)27-17-10-6-4-8-15(17)20/h3-11,20H,12H2,1-2H3,(H,22,23,25)
InChIKeyPKJDIINIUXVUND-UHFFFAOYSA-N
XLogP3.32
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]adamantane-2-carboxamide
CID 51267576
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
2-amino-N,4-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 60947443
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697235
N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51271024
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide (CID 51111078) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)C2c3ccccc3Oc3ccccc32)no1.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide?
The InChIKey is PKJDIINIUXVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-11-18(23-28-13)22-19(25)12-24(2)21(26)20-14-7-3-5-9-16(14)27-17-10-6-4-8-15(17)20/h3-11,20H,12H2,1-2H3,(H,22,23,25).
What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide?
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 51111078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).