6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide

C16H14ClN3O3 — CID 91842918

IUPAC6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H14ClN3O3/c17-12-3-4-13-10(6-12)5-11(8-22-13)15(21)18-7-14-19-16(23-20-14)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,18,21)
InChIKeyMJKUNWDRFGACLT-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.69
Rot. Bonds4

About 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide

6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide (PubChem CID 91842918) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide
PubChem CID91842918
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H14ClN3O3/c17-12-3-4-13-10(6-12)5-11(8-22-13)15(21)18-7-14-19-16(23-20-14)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,18,21)
InChIKeyMJKUNWDRFGACLT-UHFFFAOYSA-N
XLogP2.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
CID 22578485
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 75394998
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate
CID 47020775

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide (CID 91842918) is 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide is O=C(NCc1noc(C2CC2)n1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is MJKUNWDRFGACLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-12-3-4-13-10(6-12)5-11(8-22-13)15(21)18-7-14-19-16(23-20-14)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,18,21).
What are the key properties of 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide?
6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 91842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).